 Entering Gaussian System, Link 0=g16
 Input=13_p-fenchone_STD_wB97XD-def2SVPDr.in
 Output=13_p-fenchone_STD_wB97XD-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_def2SVPD/13_p-fenchone_STD/Gau-191082.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_def2SVPD/13_p-fenchone_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    191083.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                22-Jul-2021 
 ******************************************
 %NoSave
 %nproc=12
 Will use up to   12 processors via shared memory.
 %mem=128GB
 %chk=13_p-fenchone_STD_wB97XD-def2SVPDr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul 22 20:01:10 2021, MaxMem= 17179869184 cpu:               1.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "13_p-fenchone_STD_wB97XD-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.256274000000     -0.193232000000      0.100473000000
  C                                                 1.349487000000      1.010756000000     -0.889322000000
  C                                                -0.013711000000     -0.924147000000     -0.323910000000
  O                                                -0.081470000000     -1.984998000000     -0.891809000000
  C                                                -1.211573000000     -0.047150000000      0.092965000000
  C                                                -0.469997000000      1.179899000000      0.694048000000
  C                                                 0.233116000000      1.981577000000     -0.416911000000
  C                                                 2.489674000000     -1.059953000000      0.182168000000
  H                                                 1.229251000000      0.690503000000     -1.924862000000
  H                                                 2.339697000000      1.460602000000     -0.802597000000
  C                                                -2.035714000000     -0.783936000000      1.160201000000
  C                                                -2.115356000000      0.237323000000     -1.107895000000
  C                                                 0.749179000000      0.522371000000      1.370549000000
  H                                                -1.107153000000      1.783001000000      1.340408000000
  H                                                 0.663977000000      2.891365000000      0.002850000000
  H                                                -0.435453000000      2.286350000000     -1.218901000000
  H                                                 2.359792000000     -1.859595000000      0.913309000000
  H                                                 3.360905000000     -0.468217000000      0.470414000000
  H                                                 2.694356000000     -1.528857000000     -0.781354000000
  H                                                -1.463296000000     -0.990162000000      2.063972000000
  H                                                -2.391668000000     -1.735344000000      0.764373000000
  H                                                -2.901737000000     -0.179918000000      1.439283000000
  H                                                -1.570895000000      0.659830000000     -1.951248000000
  H                                                -2.910306000000      0.933429000000     -0.830639000000
  H                                                -2.574732000000     -0.690743000000     -1.448265000000
  H                                                 0.501923000000     -0.165536000000      2.178308000000
  H                                                 1.468832000000      1.252232000000      1.745219000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 NAtoms=     27 NQM=       27 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          16          12          12          12          12           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          12           1           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           1           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Jul 22 20:01:10 2021, MaxMem= 17179869184 cpu:               1.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.256274   -0.193232    0.100473
      2          6           0        1.349487    1.010756   -0.889322
      3          6           0       -0.013711   -0.924147   -0.323910
      4          8           0       -0.081470   -1.984998   -0.891809
      5          6           0       -1.211573   -0.047150    0.092965
      6          6           0       -0.469997    1.179899    0.694048
      7          6           0        0.233116    1.981577   -0.416911
      8          6           0        2.489674   -1.059953    0.182168
      9          1           0        1.229251    0.690503   -1.924862
     10          1           0        2.339697    1.460602   -0.802597
     11          6           0       -2.035714   -0.783936    1.160201
     12          6           0       -2.115356    0.237323   -1.107895
     13          6           0        0.749179    0.522371    1.370549
     14          1           0       -1.107153    1.783001    1.340408
     15          1           0        0.663977    2.891365    0.002850
     16          1           0       -0.435453    2.286350   -1.218901
     17          1           0        2.359792   -1.859595    0.913309
     18          1           0        3.360905   -0.468217    0.470414
     19          1           0        2.694356   -1.528857   -0.781354
     20          1           0       -1.463296   -0.990162    2.063972
     21          1           0       -2.391668   -1.735344    0.764373
     22          1           0       -2.901737   -0.179918    1.439283
     23          1           0       -1.570895    0.659830   -1.951248
     24          1           0       -2.910306    0.933429   -0.830639
     25          1           0       -2.574732   -0.690743   -1.448265
     26          1           0        0.501923   -0.165536    2.178308
     27          1           0        1.468832    1.252232    1.745219
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.561400   0.000000
     3  C    1.525516   2.433485   0.000000
     4  O    2.446346   3.319968   1.205199   0.000000
     5  C    2.472178   2.939912   1.542006   2.449932   0.000000
     6  C    2.284257   2.417890   2.381480   3.561245   1.554633
     7  C    2.458522   1.553045   2.917671   4.007270   2.542210
     8  C    1.509687   2.595371   2.557635   2.935969   3.838353
     9  H    2.209909   1.090579   2.591350   3.153331   3.251673
    10  H    2.173593   1.091054   3.384479   4.212145   3.960665
    11  C    3.508438   4.345233   2.512119   3.077721   1.536572
    12  C    3.607412   3.556840   2.525976   3.020281   1.529645
    13  C    1.543479   2.388704   2.354911   3.477807   2.408552
    14  H    3.320952   3.406338   3.360687   4.498070   2.217311
    15  H    3.142465   2.191480   3.888980   5.013484   3.487217
    16  H    3.278874   2.218507   3.359489   4.298454   2.787217
    17  H    2.157596   3.536822   2.835364   3.038739   4.088101
    18  H    2.154517   2.842894   3.496692   4.000778   4.607312
    19  H    2.151649   2.875754   2.812216   2.815222   4.268041
    20  H    3.447678   4.542837   2.794215   3.411126   2.199433
    21  H    4.015763   4.926663   2.738080   2.853468   2.166428
    22  H    4.368254   4.991294   3.464595   4.079977   2.164914
    23  H    3.595853   3.127214   2.753549   3.214951   2.192656
    24  H    4.415509   4.260899   3.478164   4.064883   2.168011
    25  H    4.162056   4.313584   2.806685   2.863755   2.155877
    26  H    2.210704   3.392990   2.665045   3.616132   2.701618
    27  H    2.199940   2.648275   3.349008   4.453876   3.406304
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.539898   0.000000
     8  C    3.746813   3.834300   0.000000
     9  H    3.160007   2.221052   3.015350   0.000000
    10  H    3.195797   2.204054   2.710250   1.756594   0.000000
    11  C    2.554489   3.909339   4.638089   4.727746   5.294785
    12  C    2.615847   3.005861   4.955148   3.472636   4.630023
    13  C    1.541553   2.364448   2.635398   3.334437   2.851769
    14  H    1.089716   2.218992   4.728749   4.161048   4.071509
    15  H    2.166280   1.090667   4.356402   2.979833   2.346032
    16  H    2.210159   1.087685   4.660162   2.411711   2.925171
    17  H    4.158642   4.587683   1.091267   3.979490   3.737438
    18  H    4.176375   4.070860   1.091916   3.409388   2.526611
    19  H    4.418970   4.302751   1.090936   2.894771   3.010498
    20  H    2.751817   4.226562   4.378588   5.097572   5.355952
    21  H    3.492335   4.701109   4.962118   5.121306   5.920750
    22  H    2.884066   4.236133   5.605543   5.398163   5.932113
    23  H    2.912051   2.712132   4.898708   2.800438   4.153717
    24  H    2.887997   3.339294   5.844582   4.288621   5.276479
    25  H    3.538180   4.011109   5.333183   4.074957   5.403405
    26  H    2.226623   3.378981   2.955624   4.254152   3.861027
    27  H    2.206638   2.594946   2.971775   3.720542   2.700591
                   11         12         13         14         15
    11  C    0.000000
    12  C    2.488689   0.000000
    13  C    3.083231   3.798618   0.000000
    14  H    2.735665   3.065906   2.244118   0.000000
    15  H    4.704852   4.000298   2.736785   2.480813   0.000000
    16  H    4.200907   2.651963   3.349661   2.693437   1.751418
    17  H    4.531939   5.339408   2.911512   5.046843   5.126046
    18  H    5.449677   5.742672   2.934727   5.078229   4.333455
    19  H    5.167021   5.134136   3.552736   5.470078   4.927045
    20  H    1.089492   3.463039   2.768328   2.888047   4.882598
    21  H    1.090211   2.733706   3.915309   3.789531   5.596724
    22  H    1.092117   2.698259   3.718484   2.661458   4.920410
    23  H    3.461449   1.089125   4.054130   3.508785   3.713879
    24  H    2.770866   1.092419   4.290225   2.947300   4.159774
    25  H    2.665205   1.090039   4.523908   4.006232   5.042467
    26  H    2.803313   4.220376   1.089416   2.662330   3.755466
    27  H    4.095127   4.692196   1.091318   2.661069   2.523965
                   16         17         18         19         20
    16  H    0.000000
    17  H    5.435860   0.000000
    18  H    4.985354   1.770400   0.000000
    19  H    4.954085   1.758751   1.770923   0.000000
    20  H    4.750710   4.086067   5.107325   5.066768   0.000000
    21  H    4.892257   4.755417   5.897806   5.319732   1.762421
    22  H    4.385314   5.548121   6.343698   6.169856   1.765175
    23  H    2.114504   5.477544   5.608885   4.934711   4.342355
    24  H    2.847111   6.214199   6.556328   6.121888   3.764680
    25  H    3.673174   5.593994   6.242006   5.376848   3.696045
    26  H    4.293186   2.814558   3.343994   3.927468   2.134284
    27  H    3.671745   3.342058   2.857449   3.952207   3.705038
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.770600   0.000000
    23  H    3.712832   3.737916   0.000000
    24  H    3.152047   2.528272   1.767666   0.000000
    25  H    2.453665   2.950561   1.756339   1.769748   0.000000
    26  H    3.582789   3.482997   4.693723   4.680256   4.784734
    27  H    4.979069   4.609395   4.822318   5.090533   5.506714
                   26         27
    26  H    0.000000
    27  H    1.769900   0.000000
 Stoichiometry    C10H16O
 Framework group  C1[X(C10H16O)]
 Deg. of freedom    75
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.50D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.256274   -0.193232    0.100473
      2          6           0        1.349487    1.010756   -0.889322
      3          6           0       -0.013711   -0.924147   -0.323910
      4          8           0       -0.081470   -1.984998   -0.891809
      5          6           0       -1.211573   -0.047150    0.092965
      6          6           0       -0.469997    1.179899    0.694048
      7          6           0        0.233116    1.981577   -0.416911
      8          6           0        2.489674   -1.059953    0.182168
      9          1           0        1.229251    0.690503   -1.924862
     10          1           0        2.339697    1.460602   -0.802597
     11          6           0       -2.035714   -0.783936    1.160201
     12          6           0       -2.115356    0.237323   -1.107895
     13          6           0        0.749179    0.522371    1.370549
     14          1           0       -1.107153    1.783001    1.340408
     15          1           0        0.663977    2.891365    0.002850
     16          1           0       -0.435453    2.286350   -1.218901
     17          1           0        2.359792   -1.859595    0.913309
     18          1           0        3.360905   -0.468217    0.470414
     19          1           0        2.694356   -1.528857   -0.781354
     20          1           0       -1.463296   -0.990162    2.063972
     21          1           0       -2.391668   -1.735344    0.764373
     22          1           0       -2.901737   -0.179918    1.439283
     23          1           0       -1.570895    0.659830   -1.951248
     24          1           0       -2.910306    0.933429   -0.830639
     25          1           0       -2.574732   -0.690743   -1.448265
     26          1           0        0.501923   -0.165536    2.178308
     27          1           0        1.468832    1.252232    1.745219
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.5609830           1.1701666           0.9642173
 Leave Link  202 at Thu Jul 22 20:01:10 2021, MaxMem= 17179869184 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     14     15     16     17     18     19     20     21
 Centers:      22     23     24     25     26     27
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      5      6      7      8     11     12     13
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   373 symmetry adapted cartesian basis functions of A   symmetry.
 There are   351 symmetry adapted basis functions of A   symmetry.
   351 basis functions,   515 primitive gaussians,   373 cartesian basis functions
    42 alpha electrons       42 beta electrons
       nuclear repulsion energy       682.9977865711 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   27 NActive=   27 NUniq=   27 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0232284299 Hartrees.
 Nuclear repulsion after empirical dispersion term =      682.9745581411 Hartrees.
 Leave Link  301 at Thu Jul 22 20:01:11 2021, MaxMem= 17179869184 cpu:               6.3 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   351 RedAO= T EigKep=  9.41D-06  NBF=   351
 NBsUse=   351 1.00D-06 EigRej= -1.00D+00 NBFU=   351
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   373   373   373   373   373 MxSgAt=    27 MxSgA2=    27.
 Leave Link  302 at Thu Jul 22 20:01:12 2021, MaxMem= 17179869184 cpu:               4.0 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul 22 20:01:12 2021, MaxMem= 17179869184 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "13_p-fenchone_STD_wB97XD-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul 22 20:01:12 2021, MaxMem= 17179869184 cpu:               4.1 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 17179869184 LenX= 17179582699 LenY= 17179443129
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -465.484662219514    
 DIIS: error= 4.28D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -465.484662219514     IErMin= 1 ErrMin= 4.28D-03
 ErrMax= 4.28D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.23D-02 BMatP= 1.23D-02
 IDIUse=3 WtCom= 9.57D-01 WtEn= 4.28D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.373 Goal=   None    Shift=    0.000
 GapD=    0.373 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=8.55D-03 MaxDP=8.97D-01              OVMax= 1.35D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.98D-03    CP:  1.13D+00
 E= -465.494351735951     Delta-E=       -0.009689516437 Rises=F Damp=F
 DIIS: error= 8.21D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -465.494351735951     IErMin= 2 ErrMin= 8.21D-04
 ErrMax= 8.21D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.79D-04 BMatP= 1.23D-02
 IDIUse=3 WtCom= 9.92D-01 WtEn= 8.21D-03
 Coeff-Com: -0.277D-01 0.103D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.275D-01 0.103D+01
 Gap=     0.374 Goal=   None    Shift=    0.000
 RMSDP=1.14D-03 MaxDP=1.35D-01 DE=-9.69D-03 OVMax= 7.13D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  6.10D-04    CP:  1.15D+00  1.10D+00
 E= -465.494610234374     Delta-E=       -0.000258498423 Rises=F Damp=F
 DIIS: error= 8.52D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -465.494610234374     IErMin= 2 ErrMin= 8.21D-04
 ErrMax= 8.52D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.29D-04 BMatP= 2.79D-04
 IDIUse=3 WtCom= 9.91D-01 WtEn= 8.52D-03
 Coeff-Com: -0.417D-01 0.496D+00 0.546D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.414D-01 0.491D+00 0.550D+00
 Gap=     0.373 Goal=   None    Shift=    0.000
 RMSDP=1.06D-04 MaxDP=6.28D-03 DE=-2.58D-04 OVMax= 2.83D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  9.55D-05    CP:  1.15D+00  1.10D+00  1.01D+00
 E= -465.494769181720     Delta-E=       -0.000158947346 Rises=F Damp=F
 DIIS: error= 2.39D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -465.494769181720     IErMin= 4 ErrMin= 2.39D-04
 ErrMax= 2.39D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.54D-05 BMatP= 2.29D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.39D-03
 Coeff-Com: -0.142D-01 0.950D-01 0.221D+00 0.698D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.142D-01 0.948D-01 0.221D+00 0.699D+00
 Gap=     0.374 Goal=   None    Shift=    0.000
 RMSDP=4.95D-05 MaxDP=2.30D-03 DE=-1.59D-04 OVMax= 7.55D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.88D-05    CP:  1.15D+00  1.10D+00  1.05D+00  1.09D+00
 E= -465.494779881843     Delta-E=       -0.000010700123 Rises=F Damp=F
 DIIS: error= 5.90D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -465.494779881843     IErMin= 5 ErrMin= 5.90D-05
 ErrMax= 5.90D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.78D-06 BMatP= 1.54D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.905D-04-0.312D-01 0.562D-02 0.323D+00 0.703D+00
 Coeff:      0.905D-04-0.312D-01 0.562D-02 0.323D+00 0.703D+00
 Gap=     0.373 Goal=   None    Shift=    0.000
 RMSDP=3.07D-05 MaxDP=1.86D-03 DE=-1.07D-05 OVMax= 3.41D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.48D-05    CP:  1.15D+00  1.10D+00  1.08D+00  1.06D+00  9.95D-01
 E= -465.494782535795     Delta-E=       -0.000002653952 Rises=F Damp=F
 DIIS: error= 9.13D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -465.494782535795     IErMin= 6 ErrMin= 9.13D-06
 ErrMax= 9.13D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.05D-07 BMatP= 2.78D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.840D-03-0.156D-01-0.119D-01 0.524D-01 0.226D+00 0.748D+00
 Coeff:      0.840D-03-0.156D-01-0.119D-01 0.524D-01 0.226D+00 0.748D+00
 Gap=     0.373 Goal=   None    Shift=    0.000
 RMSDP=7.54D-06 MaxDP=5.52D-04 DE=-2.65D-06 OVMax= 7.47D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  4.57D-06    CP:  1.15D+00  1.10D+00  1.08D+00  1.07D+00  1.06D+00
                    CP:  9.46D-01
 E= -465.494782643777     Delta-E=       -0.000000107982 Rises=F Damp=F
 DIIS: error= 2.50D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -465.494782643777     IErMin= 7 ErrMin= 2.50D-06
 ErrMax= 2.50D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.65D-09 BMatP= 1.05D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.286D-03-0.332D-02-0.398D-02-0.442D-02 0.332D-01 0.244D+00
 Coeff-Com:  0.734D+00
 Coeff:      0.286D-03-0.332D-02-0.398D-02-0.442D-02 0.332D-01 0.244D+00
 Coeff:      0.734D+00
 Gap=     0.373 Goal=   None    Shift=    0.000
 RMSDP=2.59D-06 MaxDP=3.27D-04 DE=-1.08D-07 OVMax= 2.64D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.13D-06    CP:  1.15D+00  1.10D+00  1.08D+00  1.07D+00  1.09D+00
                    CP:  1.00D+00  1.03D+00
 E= -465.494782652579     Delta-E=       -0.000000008802 Rises=F Damp=F
 DIIS: error= 6.93D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -465.494782652579     IErMin= 8 ErrMin= 6.93D-07
 ErrMax= 6.93D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.99D-10 BMatP= 7.65D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.475D-04 0.117D-02 0.104D-02-0.719D-02-0.180D-01-0.467D-01
 Coeff-Com:  0.100D+00 0.969D+00
 Coeff:     -0.475D-04 0.117D-02 0.104D-02-0.719D-02-0.180D-01-0.467D-01
 Coeff:      0.100D+00 0.969D+00
 Gap=     0.374 Goal=   None    Shift=    0.000
 RMSDP=7.80D-07 MaxDP=7.71D-05 DE=-8.80D-09 OVMax= 1.47D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.95D-07    CP:  1.15D+00  1.10D+00  1.08D+00  1.07D+00  1.09D+00
                    CP:  1.02D+00  1.09D+00  1.09D+00
 E= -465.494782653534     Delta-E=       -0.000000000955 Rises=F Damp=F
 DIIS: error= 1.71D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -465.494782653534     IErMin= 9 ErrMin= 1.71D-07
 ErrMax= 1.71D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.85D-11 BMatP= 4.99D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.295D-04 0.502D-03 0.532D-03-0.174D-02-0.629D-02-0.253D-01
 Coeff-Com: -0.219D-01 0.240D+00 0.814D+00
 Coeff:     -0.295D-04 0.502D-03 0.532D-03-0.174D-02-0.629D-02-0.253D-01
 Coeff:     -0.219D-01 0.240D+00 0.814D+00
 Gap=     0.374 Goal=   None    Shift=    0.000
 RMSDP=1.28D-07 MaxDP=3.27D-06 DE=-9.55D-10 OVMax= 4.23D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.02D-07    CP:  1.15D+00  1.10D+00  1.08D+00  1.06D+00  1.09D+00
                    CP:  1.02D+00  1.10D+00  1.14D+00  1.06D+00
 E= -465.494782653599     Delta-E=       -0.000000000066 Rises=F Damp=F
 DIIS: error= 5.49D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -465.494782653599     IErMin=10 ErrMin= 5.49D-08
 ErrMax= 5.49D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.15D-12 BMatP= 3.85D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.361D-05 0.235D-04 0.484D-04 0.189D-03 0.328D-04-0.243D-02
 Coeff-Com: -0.178D-01-0.352D-01 0.225D+00 0.830D+00
 Coeff:     -0.361D-05 0.235D-04 0.484D-04 0.189D-03 0.328D-04-0.243D-02
 Coeff:     -0.178D-01-0.352D-01 0.225D+00 0.830D+00
 Gap=     0.374 Goal=   None    Shift=    0.000
 RMSDP=4.80D-08 MaxDP=4.82D-06 DE=-6.57D-11 OVMax= 1.97D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  3.09D-08    CP:  1.15D+00  1.10D+00  1.08D+00  1.06D+00  1.09D+00
                    CP:  1.02D+00  1.10D+00  1.15D+00  1.13D+00  9.65D-01
 E= -465.494782653606     Delta-E=       -0.000000000007 Rises=F Damp=F
 DIIS: error= 1.76D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -465.494782653606     IErMin=11 ErrMin= 1.76D-08
 ErrMax= 1.76D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.70D-13 BMatP= 5.15D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.328D-05-0.665D-04-0.615D-04 0.282D-03 0.953D-03 0.330D-02
 Coeff-Com:  0.648D-04-0.416D-01-0.645D-01 0.172D+00 0.929D+00
 Coeff:      0.328D-05-0.665D-04-0.615D-04 0.282D-03 0.953D-03 0.330D-02
 Coeff:      0.648D-04-0.416D-01-0.645D-01 0.172D+00 0.929D+00
 Gap=     0.374 Goal=   None    Shift=    0.000
 RMSDP=2.45D-08 MaxDP=3.04D-06 DE=-7.05D-12 OVMax= 1.22D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.23D-08    CP:  1.15D+00  1.10D+00  1.08D+00  1.06D+00  1.09D+00
                    CP:  1.02D+00  1.10D+00  1.15D+00  1.14D+00  1.00D+00
                    CP:  1.18D+00
 E= -465.494782653662     Delta-E=       -0.000000000055 Rises=F Damp=F
 DIIS: error= 8.03D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -465.494782653662     IErMin=12 ErrMin= 8.03D-09
 ErrMax= 8.03D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.99D-14 BMatP= 5.70D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.438D-07 0.441D-05 0.266D-05-0.485D-04-0.109D-03-0.183D-03
 Coeff-Com:  0.186D-02 0.848D-02-0.158D-01-0.108D+00-0.127D+00 0.124D+01
 Coeff:      0.438D-07 0.441D-05 0.266D-05-0.485D-04-0.109D-03-0.183D-03
 Coeff:      0.186D-02 0.848D-02-0.158D-01-0.108D+00-0.127D+00 0.124D+01
 Gap=     0.374 Goal=   None    Shift=    0.000
 RMSDP=7.93D-09 MaxDP=3.90D-07 DE=-5.55D-11 OVMax= 7.67D-07

 SCF Done:  E(RwB97XD) =  -465.494782654     A.U. after   12 cycles
            NFock= 12  Conv=0.79D-08     -V/T= 2.0121
 KE= 4.599204794037D+02 PE=-2.443917900218D+03 EE= 8.355280800198D+02
 Leave Link  502 at Thu Jul 22 20:02:56 2021, MaxMem= 17179869184 cpu:            1242.2 elap:             103.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   351
 NBasis=   351 NAE=    42 NBE=    42 NFC=     0 NFV=     0
 NROrb=    351 NOA=    42 NOB=    42 NVA=   309 NVB=   309

 **** Warning!!: The largest alpha MO coefficient is  0.62943718D+02

 Leave Link  801 at Thu Jul 22 20:02:56 2021, MaxMem= 17179869184 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8166 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   17179869184 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          27
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.16D-13 8.33D-09 XBig12= 1.00D+00 1.64D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.16D-13 8.33D-09 XBig12= 1.57D-01 6.82D-02.
     11 vectors produced by pass  2 Test12= 2.16D-13 8.33D-09 XBig12= 3.27D-02 3.25D-02.
     11 vectors produced by pass  3 Test12= 2.16D-13 8.33D-09 XBig12= 2.43D-03 9.83D-03.
     11 vectors produced by pass  4 Test12= 2.16D-13 8.33D-09 XBig12= 2.35D-04 3.84D-03.
     11 vectors produced by pass  5 Test12= 2.16D-13 8.33D-09 XBig12= 2.54D-05 1.30D-03.
     11 vectors produced by pass  6 Test12= 2.16D-13 8.33D-09 XBig12= 9.27D-07 2.30D-04.
     11 vectors produced by pass  7 Test12= 2.16D-13 8.33D-09 XBig12= 2.48D-08 2.46D-05.
     11 vectors produced by pass  8 Test12= 2.16D-13 8.33D-09 XBig12= 7.11D-10 5.17D-06.
     11 vectors produced by pass  9 Test12= 2.16D-13 8.33D-09 XBig12= 1.44D-11 6.72D-07.
      8 vectors produced by pass 10 Test12= 2.16D-13 8.33D-09 XBig12= 2.50D-13 7.15D-08.
      1 vectors produced by pass 11 Test12= 2.16D-13 8.33D-09 XBig12= 5.03D-15 8.92D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension   119 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.123197D+03
      2  0.240678D+00  0.113956D+03
      3 -0.433876D+00  0.761970D+00  0.105003D+03
 Isotropic polarizability for W=    0.085645      114.05 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.915154D+00 -0.185905D+02  0.527603D+00
      2   0.769475D+01  0.286028D+02 -0.239356D+02
      3  -0.677959D+01 -0.100124D+02  0.234080D+02
      4   0.805138D+01  0.984997D+01  0.265795D+01
      5   0.126574D+02  0.192996D+01 -0.123923D+02
      6   0.171171D+01 -0.983043D+01  0.146201D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.157573D+01  0.795601D+01 -0.124297D+02
      2  -0.775233D+01 -0.587119D-01 -0.352298D+01
      3   0.166414D+02 -0.394648D+01 -0.214466D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.727997D+00  0.141052D+02 -0.246325D+02
      2  -0.121298D+02  0.946246D+00 -0.561266D+01
      3   0.266418D+02 -0.215522D+01 -0.218249D+00
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.128368D+01  0.195996D+00 -0.801754D+00
      2   0.195996D+00 -0.478992D-01  0.896380D+00
      3  -0.801754D+00  0.896380D+00  0.703949D+00
 OR G Eigenvalues:    -1.7273    -0.3240     1.4236  Iso=     0.2092
 Eigenvectors:
   (1)   0.861216  -0.313877   0.399735
   (2)   0.460326   0.815098  -0.351732
   (3)  -0.215423   0.486926   0.846461
 w=    0.085645 a.u., Optical Rotation Beta=      0.2092 au.
 Molar Mass =    152.2358 grams/mole, [Alpha] ( 5320.0 A) =       65.18 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   61776 ScalPx= 5.11D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   61776 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.27D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.60D-14 2.78D-09 XBig12= 1.00D+00 3.50D-01.
     30 vectors produced by pass  1 Test12= 3.60D-14 2.78D-09 XBig12= 4.07D-02 2.92D-02.
     30 vectors produced by pass  2 Test12= 3.60D-14 2.78D-09 XBig12= 3.53D-03 2.37D-02.
     30 vectors produced by pass  3 Test12= 3.60D-14 2.78D-09 XBig12= 7.41D-05 2.18D-03.
     30 vectors produced by pass  4 Test12= 3.60D-14 2.78D-09 XBig12= 1.26D-06 1.99D-04.
     30 vectors produced by pass  5 Test12= 3.60D-14 2.78D-09 XBig12= 1.40D-08 1.49D-05.
     30 vectors produced by pass  6 Test12= 3.60D-14 2.78D-09 XBig12= 1.33D-10 1.32D-06.
     30 vectors produced by pass  7 Test12= 3.60D-14 2.78D-09 XBig12= 1.03D-12 1.04D-07.
     13 vectors produced by pass  8 Test12= 3.60D-14 2.78D-09 XBig12= 7.97D-15 7.40D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.11D-15
 Solved reduced A of dimension   253 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   61776 ScalPx= 2.54D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   61776 ScalPx= 2.54D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   61776 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.53D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.123197D+03  0.240678D+00 -0.433876D+00
      2   0.240678D+00  0.113956D+03  0.761970D+00
      3  -0.433876D+00  0.761970D+00  0.105003D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.157573D+01  0.795601D+01 -0.124297D+02
      2  -0.775233D+01 -0.587119D-01 -0.352298D+01
      3   0.166414D+02 -0.394648D+01 -0.214466D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.915154D+00 -0.185905D+02  0.527603D+00
      2   0.769475D+01  0.286028D+02 -0.239356D+02
      3  -0.677959D+01 -0.100124D+02  0.234080D+02
      4   0.805138D+01  0.984997D+01  0.265795D+01
      5   0.126574D+02  0.192996D+01 -0.123923D+02
      6   0.171171D+01 -0.983043D+01  0.146201D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.351080D+01  0.327144D+01  0.616600D+00  0.342015D+01 -0.876913D+00
      2   0.327144D+01 -0.656847D+00  0.107015D+01 -0.876913D+00 -0.430630D+01
      3   0.616600D+00  0.107015D+01  0.196434D+01  0.139971D+01  0.115178D+01
                 6             7             8             9            10 
      1   0.139971D+01  0.198585D+01  0.216052D+01  0.128684D+01 -0.402014D+01
      2   0.115178D+01  0.216052D+01  0.205827D+01 -0.366763D+01 -0.455768D+01
      3  -0.359681D+01  0.128684D+01 -0.366763D+01 -0.158755D+01 -0.255754D+00
                11            12            13            14            15 
      1  -0.455768D+01 -0.255754D+00 -0.382063D+01  0.509749D+00  0.404289D+00
      2  -0.511269D+00  0.609512D+00  0.509749D+00  0.237392D+01 -0.171806D+01
      3   0.609512D+00  0.709424D+00  0.404289D+00 -0.171806D+01  0.266246D+01
                16            17            18            19            20 
      1  -0.184808D+01 -0.101575D+00 -0.505387D+00 -0.614089D+00 -0.126974D+01
      2  -0.101575D+00 -0.312836D+01  0.264670D+01 -0.126974D+01  0.224573D+01
      3  -0.505387D+00  0.264670D+01  0.393213D+01 -0.726094D+00  0.484867D+00
                21            22            23            24            25 
      1  -0.726094D+00 -0.412262D+01  0.192535D+01  0.301566D+00 -0.219074D+01
      2   0.484867D+00  0.192535D+01  0.518895D+01  0.219862D+01  0.523182D+00
      3  -0.527393D+00  0.301566D+00  0.219862D+01  0.991839D+00 -0.940590D+00
                26            27            28            29            30 
      1   0.523182D+00 -0.940590D+00 -0.300363D+00 -0.228429D+01 -0.107164D+01
      2   0.262514D+01  0.182055D+01 -0.228429D+01 -0.405413D+00 -0.136262D+00
      3   0.182055D+01  0.109441D+01 -0.107164D+01 -0.136262D+00 -0.141511D+00
                31            32            33            34            35 
      1  -0.961890D+00 -0.518145D+00 -0.533366D-01 -0.695623D+00 -0.278275D+00
      2  -0.518145D+00 -0.121490D+02 -0.370502D+01 -0.278275D+00 -0.377922D+01
      3  -0.533366D-01 -0.370502D+01 -0.251579D+01  0.132638D+00 -0.390869D+01
                36            37            38            39            40 
      1   0.132638D+00 -0.262694D+01  0.671352D+00  0.440086D+00  0.210320D+01
      2  -0.390869D+01  0.671352D+00 -0.205812D+01 -0.252569D+01 -0.339811D+01
      3  -0.394243D+01  0.440086D+00 -0.252569D+01  0.257980D+01 -0.392626D+01
                41            42            43            44            45 
      1  -0.339811D+01 -0.392626D+01  0.104741D+01 -0.353046D+01  0.342648D+01
      2  -0.142654D+01 -0.101105D+01 -0.353046D+01 -0.162739D+01  0.163737D+00
      3  -0.101105D+01  0.933598D+00  0.342648D+01  0.163737D+00 -0.391205D+00
                46            47            48            49            50 
      1   0.108517D+01  0.538642D+00 -0.179404D+01  0.423429D+00  0.296651D+01
      2   0.538642D+00  0.202841D+01  0.400074D+01  0.296651D+01  0.739308D+00
      3  -0.179404D+01  0.400074D+01 -0.567543D+00  0.464575D+01  0.791011D-01
                51            52            53            54            55 
      1   0.464575D+01 -0.144799D+01  0.450404D+01 -0.203190D-01  0.161967D+00
      2   0.791011D-01  0.450404D+01  0.682703D+00 -0.198786D+01  0.488582D+00
      3  -0.107770D+01 -0.203190D-01 -0.198786D+01 -0.236644D+00  0.110454D+01
                56            57            58            59            60 
      1   0.488582D+00  0.110454D+01  0.105984D+01 -0.205436D+01 -0.268842D+01
      2  -0.215041D+01 -0.316902D+01 -0.205436D+01 -0.302090D+01 -0.111880D+01
      3  -0.316902D+01  0.173032D+01 -0.268842D+01 -0.111880D+01  0.222232D+00
                61            62            63            64            65 
      1   0.107066D+01 -0.331429D+01  0.233385D+01 -0.211078D+01 -0.372402D+01
      2  -0.331429D+01 -0.157162D+01 -0.804769D+00 -0.372402D+01  0.237603D+00
      3   0.233385D+01 -0.804769D+00  0.400469D+00 -0.758908D+00 -0.145687D+01
                66            67            68            69            70 
      1  -0.758908D+00 -0.396479D+01 -0.692968D+00 -0.161052D+01 -0.522443D+00
      2  -0.145687D+01 -0.692968D+00  0.238599D+01 -0.172263D+01 -0.176346D+01
      3  -0.123686D+01 -0.161052D+01 -0.172263D+01  0.406936D+01 -0.197350D+01
                71            72            73            74            75 
      1  -0.176346D+01 -0.197350D+01  0.417475D+00  0.264942D+00 -0.850800D+00
      2  -0.181177D+01  0.410210D+01  0.264942D+00 -0.167560D+00 -0.220398D-01
      3   0.410210D+01  0.179828D+01 -0.850800D+00 -0.220398D-01 -0.388784D+00
                76            77            78            79            80 
      1  -0.757463D-01  0.211875D+00  0.346050D+00 -0.140274D+01  0.523082D-01
      2   0.211875D+00 -0.727433D+00 -0.800823D+00  0.523082D-01 -0.103336D+01
      3   0.346050D+00 -0.800823D+00 -0.189445D+01  0.110902D+01 -0.425050D+00
                81            82            83            84            85 
      1   0.110902D+01  0.846830D+01  0.332095D+01 -0.115654D+01  0.270991D+01
      2  -0.425050D+00  0.332095D+01  0.271531D+01 -0.717717D+00  0.177224D+01
      3  -0.783166D+01 -0.115654D+01 -0.717717D+00  0.112476D+01 -0.487552D+00
                86            87            88            89            90 
      1   0.177224D+01 -0.487552D+00  0.657163D+00  0.202483D+00  0.937087D+00
      2   0.192719D+01 -0.165394D+00  0.202483D+00  0.720415D+00  0.231183D+00
      3  -0.165394D+00  0.306463D+00  0.937087D+00  0.231183D+00 -0.528831D+00
                91            92            93            94            95 
      1   0.256305D+01 -0.181273D+01 -0.124490D+01 -0.299728D+01  0.311813D+01
      2  -0.181273D+01  0.187243D+01  0.302144D+01  0.311813D+01  0.294153D+01
      3  -0.124490D+01  0.302144D+01 -0.299537D+01  0.395008D+01  0.107541D+01
                96            97            98            99           100 
      1   0.395008D+01 -0.291593D+00  0.319448D+01 -0.330028D+01  0.221174D+01
      2   0.107541D+01  0.319448D+01  0.198702D+01 -0.587983D-02 -0.151390D+01
      3  -0.920234D+00 -0.330028D+01 -0.587983D-02 -0.142917D+01 -0.420027D+00
               101           102           103           104           105 
      1  -0.151390D+01 -0.420027D+00 -0.140527D+01  0.407487D+01  0.305223D+01
      2   0.292472D+01  0.248716D+01  0.407487D+01  0.132720D+01  0.181781D+01
      3   0.248716D+01 -0.335510D+01  0.305223D+01  0.181781D+01 -0.344731D+00
               106           107           108           109           110 
      1  -0.139202D+01  0.344821D+01 -0.325179D+01 -0.470374D+00 -0.299844D+01
      2   0.344821D+01  0.126587D+01 -0.416851D+00 -0.299844D+01 -0.153551D+01
      3  -0.325179D+01 -0.416851D+00  0.107564D+01  0.176636D+00 -0.401668D+01
               111           112           113           114           115 
      1   0.176636D+00 -0.303191D+01 -0.159886D+01 -0.390199D+01  0.547904D+00
      2  -0.401668D+01 -0.159886D+01  0.431971D+00 -0.196029D+01 -0.371250D+01
      3  -0.517044D+00 -0.390199D+01 -0.196029D+01  0.301488D+01 -0.903921D+00
               116           117           118           119           120 
      1  -0.371250D+01 -0.903921D+00 -0.390084D+01  0.190852D+01  0.213363D+01
      2  -0.103842D+01  0.350682D+01  0.190852D+01 -0.239708D+01 -0.158541D+01
      3   0.350682D+01 -0.946321D+00  0.213363D+01 -0.158541D+01 -0.182946D+01
               121           122           123           124           125 
      1   0.164691D+01 -0.219112D+01 -0.155415D+01  0.197422D+01 -0.167874D+01
      2  -0.219112D+01  0.375632D+01  0.183732D+01 -0.167874D+01  0.200827D+01
      3  -0.155415D+01  0.183732D+01  0.190911D+01 -0.194569D+01  0.225900D+01
               126           127           128           129           130 
      1  -0.194569D+01  0.145965D+01  0.173788D+01  0.110244D+00  0.152343D+01
      2   0.225900D+01  0.173788D+01  0.294847D+01  0.594044D+00  0.207219D+01
      3   0.335159D+01  0.110244D+00  0.594044D+00  0.257720D+00  0.384569D+00
               131           132           133           134           135 
      1   0.207219D+01  0.384569D+00  0.564370D+00  0.945897D+00  0.182123D+00
      2   0.904366D+01  0.116589D+01  0.945897D+00  0.290471D+01  0.145460D+01
      3   0.116589D+01  0.106610D+01  0.182123D+00  0.145460D+01  0.921215D+00
               136           137           138           139           140 
      1  -0.320948D+01  0.882029D+00 -0.174327D+01  0.252978D+00 -0.126717D+01
      2   0.882029D+00 -0.205330D+01  0.146473D+01 -0.126717D+01  0.235431D+01
      3  -0.174327D+01  0.146473D+01 -0.197265D+01  0.811446D+00 -0.135533D+01
               141           142           143           144           145 
      1   0.811446D+00 -0.217298D+01  0.115263D+01 -0.187368D+01  0.193852D-01
      2  -0.135533D+01  0.115263D+01 -0.230565D+01  0.211704D+01 -0.302362D+00
      3   0.126707D+01 -0.187368D+01  0.211704D+01 -0.369676D+01  0.612467D+00
               146           147           148           149           150 
      1  -0.302362D+00  0.612467D+00 -0.115654D+01  0.141478D+01 -0.437133D+00
      2  -0.351143D+00  0.204337D+00  0.141478D+01 -0.534748D+01  0.264753D+01
      3   0.204337D+00 -0.151658D+00 -0.437133D+00  0.264753D+01 -0.263208D+01
               151           152           153           154           155 
      1   0.156643D+01 -0.798807D+00  0.956665D+00  0.810396D+01  0.154654D+01
      2  -0.798807D+00  0.324392D+01 -0.281110D+01  0.154654D+01  0.125946D+01
      3   0.956665D+00 -0.281110D+01  0.286020D+01  0.143904D+01  0.365364D+00
               156           157           158           159           160 
      1   0.143904D+01  0.428598D+01  0.134336D+01  0.797412D+00  0.189154D+01
      2   0.365364D+00  0.134336D+01  0.146314D+01  0.498799D+00  0.429117D+00
      3   0.127388D+01  0.797412D+00  0.498799D+00  0.502562D+00  0.159017D+01
               161           162           163           164           165 
      1   0.429117D+00  0.159017D+01  0.158760D+01 -0.546141D+00 -0.115621D+01
      2   0.620543D+00 -0.123204D+00 -0.546141D+00  0.647378D+00  0.778186D+00
      3  -0.123204D+00  0.699160D+00 -0.115621D+01  0.778186D+00  0.103138D+01
               166           167           168           169           170 
      1  -0.108472D+01  0.141315D+01  0.101587D+01 -0.309004D+01  0.182494D+01
      2   0.141315D+01 -0.252812D+01 -0.134583D+01  0.182494D+01 -0.231852D+01
      3   0.101587D+01 -0.134583D+01 -0.207006D+01  0.219969D+01 -0.245231D+01
               171           172           173           174           175 
      1   0.219969D+01  0.314215D+01  0.822521D+00  0.908623D+00  0.635165D+00
      2  -0.245231D+01  0.822521D+00  0.911713D+00 -0.946706D+00  0.196228D+00
      3  -0.473467D+01  0.908623D+00 -0.946706D+00  0.235582D+01 -0.572540D+00
               176           177           178           179           180 
      1   0.196228D+00 -0.572540D+00  0.159975D+01 -0.247658D+00  0.978866D+00
      2  -0.106095D+01  0.103831D+01 -0.247658D+00  0.120396D+01 -0.152784D+01
      3   0.103831D+01 -0.115657D+01  0.978866D+00 -0.152784D+01  0.612736D+01
               181           182           183           184           185 
      1  -0.226229D+01 -0.160285D+01 -0.259450D-01 -0.269210D+01 -0.319799D+01
      2  -0.160285D+01 -0.200188D+01 -0.357340D+00 -0.319799D+01 -0.617736D+01
      3  -0.259450D-01 -0.357340D+00 -0.884691D-01 -0.164772D+00 -0.145645D+00
               186           187           188           189           190 
      1  -0.164772D+00 -0.131418D+01 -0.115244D+01 -0.727167D-01 -0.723686D+01
      2  -0.145645D+00 -0.115244D+01 -0.159545D+01 -0.671168D+00  0.155203D+01
      3  -0.120027D+01 -0.727167D-01 -0.671168D+00 -0.634203D+00  0.252970D+01
               191           192           193           194           195 
      1   0.155203D+01  0.252970D+01  0.389262D+01 -0.186731D+01 -0.180399D+01
      2  -0.157768D+01 -0.660870D+00 -0.186731D+01  0.138257D+01  0.583773D+00
      3  -0.660870D+00 -0.172761D+01 -0.180399D+01  0.583773D+00  0.163087D+01
               196           197           198           199           200 
      1   0.159511D+01 -0.742103D+00 -0.131848D+01  0.186221D+01  0.947150D+00
      2  -0.742103D+00  0.208781D+00  0.520994D+00  0.947150D+00  0.585887D+00
      3  -0.131848D+01  0.520994D+00  0.161855D+01 -0.644915D+00 -0.796125D+00
               201           202           203           204           205 
      1  -0.644915D+00  0.138020D+01  0.225213D+00 -0.340368D+00 -0.117665D+01
      2  -0.796125D+00  0.225213D+00  0.126067D+01 -0.138832D+01 -0.644408D+00
      3   0.228123D+01 -0.340368D+00 -0.138832D+01  0.166243D+01  0.722122D+00
               206           207           208           209           210 
      1  -0.644408D+00  0.722122D+00 -0.650858D+01  0.277262D+01 -0.268457D+00
      2  -0.154044D+01  0.164469D+01  0.277262D+01 -0.243664D+01 -0.100460D+00
      3   0.164469D+01 -0.551004D+01 -0.268457D+00 -0.100460D+00 -0.805603D+00
               211           212           213           214           215 
      1   0.392715D+01 -0.302852D+01  0.236516D-01  0.176013D+01 -0.897390D+00
      2  -0.302852D+01  0.287434D+01 -0.332766D+00 -0.897390D+00  0.559081D+00
      3   0.236516D-01 -0.332766D+00  0.949019D+00 -0.420736D+00  0.510012D+00
               216           217           218           219           220 
      1  -0.420736D+00 -0.308442D+01 -0.152530D+01 -0.124982D+01 -0.334444D+01
      2   0.510012D+00 -0.152530D+01 -0.177227D+01 -0.102397D+01 -0.264174D+01
      3   0.426251D+00 -0.124982D+01 -0.102397D+01 -0.823309D+00 -0.198470D+01
               221           222           223           224           225 
      1  -0.264174D+01 -0.198470D+01 -0.107951D+01 -0.110493D+01 -0.970281D+00
      2  -0.380911D+01 -0.167235D+01 -0.110493D+01 -0.117641D+01 -0.117202D+01
      3  -0.167235D+01 -0.225809D+01 -0.970281D+00 -0.117202D+01 -0.180726D+01
               226           227           228           229           230 
      1  -0.251438D+01 -0.932962D+00  0.101076D+01 -0.130111D+01 -0.161532D+00
      2  -0.932962D+00 -0.348761D+00  0.635872D+00 -0.161532D+00 -0.232827D+01
      3   0.101076D+01  0.635872D+00 -0.602046D+00  0.467411D+00  0.226602D+01
               231           232           233           234           235 
      1   0.467411D+00  0.107802D+01  0.376425D+00 -0.140330D+00  0.426609D+01
      2   0.226602D+01  0.376425D+00  0.152757D+01 -0.218597D+01  0.234520D+01
      3  -0.345197D+01 -0.140330D+00 -0.218597D+01  0.616271D+01  0.228500D+01
               236           237           238           239           240 
      1   0.234520D+01  0.228500D+01  0.269809D+01  0.225110D+01  0.192571D+01
      2   0.204677D+01  0.179876D+01  0.225110D+01  0.343044D+01  0.208197D+01
      3   0.179876D+01  0.242174D+01  0.192571D+01  0.208197D+01  0.193077D+01
               241           242           243 
      1   0.128605D+01  0.115281D+01  0.178216D+01
      2   0.115281D+01  0.131035D+01  0.118291D+01
      3   0.178216D+01  0.118291D+01  0.280878D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.443433D+00  0.259996D+01  0.307567D+00  0.670987D+00  0.215633D+01
      2  -0.273229D+01 -0.428567D-01  0.114122D+02  0.172053D+01  0.220191D+01
      3  -0.486195D+01 -0.644341D+01  0.299104D-01  0.372305D+01  0.597221D+01
                 6             7             8             9            10 
      1  -0.464344D+01  0.133527D+01  0.203420D+01 -0.489767D+00  0.560151D+01
      2  -0.605866D+01 -0.541053D+00 -0.930400D+01 -0.395656D+01 -0.204241D+01
      3  -0.223408D+01 -0.372153D+01 -0.699972D+01  0.498291D+01  0.841771D+01
                11            12            13            14            15 
      1  -0.185401D+01 -0.177635D+01 -0.165787D+01  0.144560D+01 -0.147453D+01
      2  -0.858948D+00  0.307918D+01 -0.423912D+01 -0.198654D+01  0.605949D+01
      3  -0.529371D+01 -0.165940D+01 -0.267604D+01 -0.382427D+01  0.356305D+01
                16            17            18            19            20 
      1  -0.959442D+00  0.430413D+01 -0.809305D+01  0.246761D-01 -0.123380D+01
      2  -0.394085D+01  0.800846D+01  0.102757D+02  0.228736D+01  0.420313D+01
      3  -0.537525D+00  0.808629D+01 -0.476751D+01  0.224359D+01 -0.426274D+00
                21            22            23            24            25 
      1  -0.134584D+01  0.109994D+01 -0.716233D+01  0.598509D+01 -0.815065D+00
      2  -0.641659D+01  0.985952D+01 -0.113820D+01  0.253024D+01 -0.191788D+02
      3  -0.340084D+01  0.641403D+01 -0.355512D+01  0.714762D+00 -0.840205D+01
                26            27            28            29            30 
      1   0.944053D+01  0.887367D+01 -0.340834D+00  0.676907D+00 -0.217072D+00
      2   0.327328D+01  0.192823D+01 -0.131968D+01 -0.178086D+01  0.336868D+01
      3   0.427815D+00 -0.105314D+01 -0.541462D-01  0.822505D+00  0.222934D+01
                31            32            33            34            35 
      1  -0.351768D+00  0.401263D+01 -0.101536D+02 -0.138479D+00 -0.107061D+00
      2  -0.876126D+01  0.144013D+00  0.163393D+01  0.621776D+00 -0.432206D-01
      3   0.121322D+02  0.269193D+01  0.125941D+01  0.900688D+01  0.804984D+00
                36            37            38            39            40 
      1  -0.694097D+01  0.638462D+00 -0.216228D+01  0.287975D+01 -0.856585D+00
      2   0.498542D+00  0.128106D+01  0.303307D+01  0.133867D+01  0.629888D+01
      3   0.109306D+01 -0.173585D+01 -0.114364D+02 -0.427750D+01 -0.177062D+01
                41            42            43            44            45 
      1  -0.135536D+01 -0.619889D+01  0.209421D+01  0.313794D+01 -0.368100D+00
      2   0.383273D+01 -0.435006D+01 -0.853725D+01  0.637780D+00 -0.184956D+01
      3  -0.125363D+01 -0.413265D+01 -0.612144D+01 -0.131369D+01  0.344764D+00
                46            47            48            49            50 
      1   0.382094D+01 -0.475185D+01  0.523701D+01 -0.558317D+01  0.300648D+00
      2   0.197456D+01 -0.236357D+01  0.511080D+01 -0.436415D+01 -0.119896D+01
      3  -0.244323D+01 -0.188269D+01 -0.494917D+00  0.499174D+01  0.472354D+01
                51            52            53            54            55 
      1  -0.254767D-01  0.574899D+01  0.742016D+01 -0.843410D+00 -0.487613D+01
      2  -0.336394D+01 -0.209476D+01 -0.463521D+01 -0.234677D+00 -0.985196D+00
      3   0.605353D+01  0.421026D+00  0.577775D+01 -0.191608D+01  0.616868D+00
                56            57            58            59            60 
      1   0.111905D+02 -0.471391D+01  0.102529D+02  0.518836D+01 -0.264247D+01
      2   0.746540D+00  0.310172D+01  0.947303D+00 -0.894860D+00 -0.174043D+01
      3  -0.865010D+00  0.333605D+01  0.655004D+01 -0.534944D+01 -0.862776D+01
                61            62            63            64            65 
      1  -0.645110D+01  0.482193D+01 -0.213336D+01 -0.766118D+00 -0.239181D+01
      2  -0.785587D+00 -0.217866D+01  0.229688D+01 -0.864181D+00 -0.380604D+01
      3   0.364287D+01 -0.102300D+02  0.772301D+01  0.143539D+02  0.187697D+01
                66            67            68            69            70 
      1  -0.169450D+01 -0.245547D+01 -0.202470D+01  0.398122D+01 -0.496997D+01
      2  -0.122730D+01 -0.525341D+01 -0.453543D+01  0.117151D+02 -0.914993D+01
      3   0.558158D+01  0.103352D+02 -0.750398D+01  0.725180D+01  0.584378D+01
                71            72            73            74            75 
      1   0.831930D+01  0.305679D+01  0.655463D+00  0.721483D+00  0.521609D+00
      2   0.125187D+02  0.532319D+01 -0.217379D+01 -0.120803D+00 -0.125121D+01
      3   0.680856D+01 -0.101960D+02 -0.737886D+00 -0.671668D-01 -0.681662D+00
                76            77            78            79            80 
      1  -0.121841D+00  0.279317D+01  0.191652D+01 -0.133283D+01  0.501065D+01
      2  -0.542094D+00 -0.151059D+01 -0.344010D+01 -0.278951D+01 -0.877187D+00
      3   0.478066D+00  0.192099D+01  0.119165D+01 -0.114158D+01  0.207510D+01
                81            82            83            84            85 
      1   0.934875D+01 -0.155400D+01 -0.205088D+01 -0.150956D+01 -0.127924D+01
      2  -0.132027D+02  0.542496D+01 -0.132559D+00  0.403853D+01  0.273253D+01
      3   0.189731D+01  0.350202D+01 -0.541125D+01  0.636389D+00  0.161456D+01
                86            87            88            89            90 
      1  -0.154732D+01 -0.135677D+01 -0.722096D+00 -0.243793D+00  0.436694D+00
      2   0.146315D+01  0.480138D+00  0.699279D+00 -0.732133D+00 -0.438152D+00
      3  -0.213484D+01 -0.586591D+00  0.158362D+00 -0.196274D+01  0.427147D+00
                91            92            93            94            95 
      1  -0.343865D+01  0.607724D+01  0.353816D+00  0.800981D+01  0.715521D+01
      2   0.184482D+00 -0.565072D+01  0.109167D+02 -0.849258D+01 -0.665270D+01
      3  -0.653635D+01  0.407074D+01  0.903666D+01  0.104209D+02  0.595623D+01
                96            97            98            99           100 
      1  -0.533059D+00  0.132200D+01  0.462560D+01 -0.353688D+01  0.102682D+01
      2  -0.131776D+01  0.756127D+01 -0.452327D+01  0.105381D+02  0.402582D+01
      3   0.882141D+00  0.976897D+01  0.168207D+01  0.292181D+01 -0.273828D+01
               101           102           103           104           105 
      1  -0.412618D+01 -0.397666D+01 -0.675063D+01 -0.235986D+01 -0.535036D+01
      2  -0.815417D+01  0.105896D+02 -0.852426D+01 -0.139735D+01  0.522840D+01
      3   0.576279D+01  0.682597D+01  0.133571D+02  0.391375D+01  0.655418D+01
               106           107           108           109           110 
      1  -0.486118D+01 -0.113844D+01  0.155799D+00 -0.642187D+01  0.117103D+00
      2   0.607685D+01  0.493681D+01 -0.783038D+01 -0.325393D+01  0.561429D-01
      3   0.100691D+02  0.418824D+01 -0.203958D+01  0.337428D+01 -0.423101D+01
               111           112           113           114           115 
      1  -0.768789D+01 -0.368286D+00 -0.661138D+00 -0.961904D+01 -0.640228D+01
      2  -0.739404D+00  0.120016D+01 -0.163274D+01  0.101301D+02 -0.488007D+01
      3   0.271817D+01  0.126137D+01 -0.351695D+01 -0.233224D+00  0.370388D+01
               116           117           118           119           120 
      1  -0.249855D+01  0.580538D+01 -0.152109D+01 -0.797315D+00  0.215857D+01
      2   0.102619D+02 -0.175843D+01  0.323042D+01 -0.844984D+00  0.108215D+01
      3  -0.595937D+00 -0.376401D+01 -0.573708D+01 -0.114932D+01  0.205377D+01
               121           122           123           124           125 
      1   0.392304D+00  0.140698D+01 -0.291091D+01  0.124560D+01  0.337836D+00
      2  -0.111405D+01  0.908788D+00 -0.936148D+00 -0.286913D+01  0.322608D+00
      3   0.296256D+01 -0.450055D-01 -0.114699D+01  0.303223D+01 -0.308480D-01
               126           127           128           129           130 
      1  -0.371430D+01 -0.788798D+00 -0.333999D+01 -0.162279D+01 -0.211261D+01
      2  -0.100011D+01  0.536669D+00  0.537836D+00  0.140594D+01  0.397304D+00
      3  -0.132097D+01  0.416703D+01  0.224152D+01  0.300710D+00  0.584748D+01
               131           132           133           134           135 
      1  -0.673745D+01 -0.613241D+01 -0.470131D+00 -0.368474D+01 -0.395301D+01
      2   0.104839D+01  0.111769D+01 -0.300464D+00  0.662384D+00 -0.971106D-01
      3   0.270240D+01  0.863594D+00  0.213061D+01  0.157749D+01 -0.149670D+00
               136           137           138           139           140 
      1   0.556143D+01 -0.123286D+01  0.578275D+01 -0.499836D+00  0.265094D+01
      2  -0.450517D+01 -0.104116D+00 -0.958672D+00 -0.151169D+00 -0.182953D+01
      3  -0.109084D+02  0.398177D+00 -0.470063D+01  0.138157D+01 -0.306612D+01
               141           142           143           144           145 
      1  -0.305495D+01  0.536159D+01 -0.159771D+01  0.954149D+01  0.714771D+00
      2   0.393139D-01 -0.495527D+01  0.793887D+00 -0.160513D+01  0.180639D+01
      3   0.252689D+01 -0.754851D+01  0.293285D+01 -0.545410D+01  0.112736D+01
               146           147           148           149           150 
      1  -0.314301D-01 -0.389134D+00 -0.316233D+00  0.156839D+01 -0.518145D+01
      2   0.199193D+00 -0.433162D-01  0.930893D-01  0.699825D+01 -0.772489D+01
      3   0.397877D+00 -0.132138D+01 -0.346426D-01  0.138195D+02 -0.736893D+01
               151           152           153           154           155 
      1   0.721414D+00 -0.151151D+01  0.422353D+01  0.193362D+01  0.131658D+01
      2   0.111491D-01 -0.745615D+01  0.785909D+01  0.222760D+01  0.867354D+00
      3  -0.109925D+01 -0.882066D+01  0.721169D+01 -0.122705D+02 -0.826227D+01
               156           157           158           159           160 
      1   0.983951D+00  0.111792D+01  0.127027D+01 -0.368668D+00  0.160411D+01
      2   0.562545D+01  0.151348D+01  0.113017D+01  0.233940D+01  0.266114D+01
      3  -0.282450D+01 -0.639748D+01 -0.716771D+01 -0.221008D+01 -0.338453D+01
               161           162           163           164           165 
      1   0.955835D+00  0.475454D+00 -0.170759D+01  0.101468D+01  0.184595D+01
      2  -0.415623D+00  0.206418D+01 -0.353039D+01  0.260425D+01  0.401005D+01
      3  -0.300827D+01 -0.110426D+01  0.298638D+00 -0.186075D+01 -0.716776D+00
               166           167           168           169           170 
      1   0.158948D+01 -0.138463D+01 -0.447050D+01  0.299528D+01 -0.156032D+01
      2   0.237553D+01 -0.399536D+01 -0.678044D+01  0.375944D+01 -0.700919D+01
      3  -0.942552D+00  0.592681D+01  0.283870D+01 -0.393501D+00  0.566116D+01
               171           172           173           174           175 
      1  -0.764749D+01  0.471864D+01  0.211212D+01  0.155990D+01  0.464382D+00
      2  -0.144757D+02 -0.138895D+02 -0.110692D+01 -0.645891D+01 -0.419222D+00
      3   0.510505D+01 -0.446169D+01  0.560319D-02 -0.327566D+01  0.621256D+00
               176           177           178           179           180 
      1  -0.644117D+00 -0.689568D+00  0.128956D+01  0.244176D+01  0.459921D+01
      2  -0.313548D+01  0.328917D+01 -0.891321D+01  0.340631D+01 -0.158251D+02
      3  -0.244298D+01  0.270434D+01 -0.350903D+01  0.253675D+01 -0.515915D+01
               181           182           183           184           185 
      1  -0.257815D+01 -0.319974D+01 -0.110403D+01 -0.439772D+01 -0.875000D+01
      2   0.271208D+01  0.274758D+01  0.113694D+01  0.347822D+01  0.460511D+01
      3  -0.147381D+01 -0.444284D+01 -0.696590D+00 -0.262322D+01 -0.132204D+02
               186           187           188           189           190 
      1  -0.444440D+01 -0.949078D+00 -0.213138D+01 -0.275255D+01  0.388173D+01
      2   0.446874D+01  0.145090D-01  0.272773D+01  0.218564D+01  0.250558D+01
      3  -0.571635D+00 -0.564325D+00 -0.342793D+01 -0.201630D+01  0.772954D+01
               191           192           193           194           195 
      1  -0.381102D+01 -0.158106D+01 -0.333278D+01  0.283271D+01  0.344333D+00
      2  -0.567489D+00  0.355888D+01 -0.495684D-01  0.693578D+00 -0.356326D+01
      3  -0.743591D+01 -0.316932D+01 -0.472411D+01  0.554885D+01  0.162020D+01
               196           197           198           199           200 
      1  -0.217242D+01  0.163318D+01  0.191944D+01 -0.238671D+01 -0.223844D+01
      2  -0.518320D+00 -0.166105D+00 -0.277665D+01  0.753247D+01  0.418933D+01
      3  -0.315752D+01  0.185247D+01  0.209999D+01  0.412797D+01  0.179131D+01
               201           202           203           204           205 
      1   0.563552D+00 -0.158893D+01 -0.273823D+01  0.684730D+00  0.130659D+01
      2  -0.596266D+01  0.479743D+01  0.470182D+01 -0.501172D+01 -0.711522D+01
      3  -0.225075D+01  0.328205D+01  0.397487D+01 -0.358910D+01 -0.289996D+01
               206           207           208           209           210 
      1   0.424767D+01 -0.613456D+00 -0.316386D+01  0.318957D+01  0.173431D+01
      2  -0.567633D+01  0.143777D+02 -0.521032D+01  0.330759D+01  0.405271D+01
      3  -0.385571D+01  0.444546D+01  0.430849D+01 -0.733605D+01 -0.430987D+00
               211           212           213           214           215 
      1   0.346949D+01 -0.327496D+01 -0.167745D+01  0.951937D+00  0.102540D+00
      2   0.367653D+01 -0.181072D+01 -0.415696D+01  0.675608D+00 -0.152464D+01
      3  -0.462869D+01  0.765663D+01 -0.799873D+00 -0.170160D+01  0.178859D+01
               216           217           218           219           220 
      1  -0.130406D+01  0.274607D+01  0.319266D+01  0.113829D+01  0.360034D+01
      2  -0.216607D+01 -0.527507D+00  0.609630D+00  0.178109D+01  0.199270D+00
      3   0.110945D+01 -0.426108D+01 -0.593605D+01 -0.300547D+01 -0.449545D+01
               221           222           223           224           225 
      1   0.724125D+01  0.509663D+00  0.209711D+01  0.312172D+01  0.147808D+01
      2   0.136854D+01  0.458432D+01 -0.294458D+00  0.123449D+01  0.356378D+01
      3  -0.117804D+02 -0.419084D+01 -0.299579D+01 -0.389410D+01 -0.318944D+01
               226           227           228           229           230 
      1  -0.378218D+01 -0.261848D+01  0.184040D+01 -0.117944D+01 -0.680173D+01
      2   0.994110D+01  0.414724D+01 -0.186209D+01  0.637454D+01  0.321475D+01
      3   0.191187D+01  0.377013D+00 -0.217340D+00  0.267802D+01  0.273391D+01
               231           232           233           234           235 
      1   0.455094D+01  0.122097D+01  0.703147D+01 -0.666246D+01  0.244528D+01
      2  -0.510858D+01 -0.502843D+01 -0.338347D+01  0.600953D+01 -0.485273D+01
      3  -0.207157D+01 -0.817448D+00 -0.101807D+01  0.237284D+01  0.191761D+01
               236           237           238           239           240 
      1   0.363130D+01  0.711362D+00  0.240142D+01  0.503884D+01  0.451768D+00
      2  -0.133435D+01  0.181443D+01 -0.375343D+01 -0.592748D+00 -0.630562D-01
      3  -0.224927D+01 -0.668721D-02  0.184622D+01 -0.256103D+01 -0.479550D+00
               241           242           243 
      1   0.107276D+01  0.247194D+01 -0.479579D+00
      2  -0.179331D+01 -0.978951D+00  0.514415D+00
      3   0.217893D+00 -0.104239D+01  0.395752D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.129763D+02  0.614456D+01 -0.158556D+01  0.126452D+02  0.104059D+00
      2  -0.842607D+01 -0.353606D+01 -0.236943D+01 -0.820122D+01  0.530246D+01
      3  -0.455021D+01 -0.260849D+01  0.395499D+01 -0.444394D+01 -0.540652D+01
      4   0.112503D+02  0.225989D+01  0.118123D+01  0.851184D+00 -0.525695D+01
      5  -0.176916D+01  0.361847D+01  0.887778D+01  0.659841D+01  0.820826D+01
      6  -0.108177D+01  0.137584D+01  0.559714D+01  0.384945D+01  0.701353D+01
                 6             7             8             9            10 
      1   0.346044D+01  0.318203D+01  0.587203D+01  0.726003D+01 -0.178401D+02
      2   0.297162D+00 -0.205149D+01  0.185675D+00 -0.177192D+01  0.148054D+01
      3  -0.375760D+01 -0.113054D+01 -0.605770D+01 -0.548811D+01  0.163596D+02
      4   0.462143D+01  0.429811D+01  0.689294D+01 -0.119729D+02 -0.235040D+02
      5  -0.606845D+01  0.588872D+01 -0.123156D+02 -0.143365D+01  0.752869D+01
      6  -0.187139D+01 -0.364498D+01 -0.344447D+01 -0.107495D+01  0.666835D+01
                11            12            13            14            15 
      1  -0.164147D+02  0.585710D+00 -0.175714D+02 -0.477787D+01  0.783326D+01
      2   0.126824D+02  0.288307D+01  0.112060D+02 -0.142105D+01  0.464892D+00
      3   0.373234D+01 -0.346878D+01  0.636548D+01  0.619892D+01 -0.829815D+01
      4  -0.120054D+02  0.264597D+01 -0.106565D+02  0.425946D+01 -0.449224D+01
      5   0.881853D+01  0.207428D+01  0.592730D+01 -0.691674D+01  0.742888D+01
      6   0.583417D+01 -0.123964D+01  0.495899D+00 -0.685923D+01  0.546917D+01
                16            17            18            19            20 
      1  -0.568880D+01  0.405022D+01  0.566990D+01 -0.175456D+02 -0.224737D+00
      2   0.326588D+01  0.101609D+00  0.132950D+02  0.109775D+02 -0.257092D+01
      3   0.242292D+01 -0.415183D+01 -0.189649D+02  0.656812D+01  0.279566D+01
      4  -0.266266D+01 -0.588882D+01  0.808097D+01 -0.157572D+01 -0.268135D+01
      5   0.188251D+01  0.989611D+01  0.811368D+01  0.888588D+00 -0.104659D+01
      6   0.278997D+01  0.834053D+01 -0.102111D+01  0.102652D+01 -0.223419D+01
                21            22            23            24            25 
      1  -0.797702D+00 -0.274770D+01  0.188000D+02  0.716759D+01 -0.311308D+01
      2   0.786813D+00  0.659144D+00 -0.267020D+02 -0.195008D+01  0.342101D+01
      3   0.108885D-01  0.208855D+01  0.790198D+01 -0.521752D+01 -0.307934D+00
      4   0.461345D+00 -0.662139D+01  0.296836D+01 -0.120226D+00 -0.566282D+01
      5  -0.609322D+01 -0.797352D+01 -0.384635D+01  0.233344D+01 -0.958896D+00
      6  -0.817728D+00 -0.322727D+00 -0.184054D+02 -0.113539D+02 -0.290426D+00
                26            27            28            29            30 
      1   0.869249D+01  0.310728D+01  0.188886D+01 -0.126882D+01 -0.104180D+01
      2  -0.144474D+02 -0.621645D+01  0.265277D+01  0.191991D+01  0.204513D+00
      3   0.575492D+01  0.310917D+01 -0.454163D+01 -0.651094D+00  0.837290D+00
      4  -0.705242D+00  0.238151D+01  0.126020D+01  0.128917D+02  0.352072D+01
      5   0.145504D+01 -0.425890D+00  0.798797D-01  0.311816D+01  0.727493D+01
      6  -0.355369D+01 -0.112547D+02  0.453254D+01  0.753365D+00  0.146061D+01
                31            32            33            34            35 
      1   0.126193D+01 -0.423963D+02 -0.150346D+02  0.390278D+00 -0.171160D+02
      2  -0.279692D+00  0.628481D+02  0.118297D+02 -0.906298D+00  0.132984D+02
      3  -0.982237D+00 -0.204518D+02  0.320494D+01  0.516020D+00  0.381760D+01
      4   0.145019D+02  0.183981D+00 -0.594951D+00  0.486555D+01 -0.776777D+00
      5   0.437152D+01  0.181330D+01  0.126105D+01  0.795348D+01  0.214891D+01
      6  -0.103289D+00  0.291353D+02  0.233991D+02  0.102315D+01  0.251684D+02
                36            37            38            39            40 
      1  -0.181146D+02  0.111174D+02  0.282637D+01  0.105806D+01 -0.421274D+01
      2   0.769073D+01 -0.339493D+01 -0.215634D+01  0.934971D+00  0.510377D+01
      3   0.104239D+02 -0.772247D+01 -0.670030D+00 -0.199303D+01 -0.891026D+00
      4  -0.243593D+00 -0.302676D+01  0.740074D+01  0.102637D+02  0.486769D+01
      5   0.249017D+01 -0.417931D+01  0.877921D+01 -0.817541D+01  0.141184D+02
      6   0.230440D+02  0.459475D+01 -0.912137D+00 -0.708066D+01  0.133228D+01
                41            42            43            44            45 
      1   0.784005D+01  0.106467D+02 -0.102988D+01  0.115261D+02 -0.132217D+02
      2  -0.409551D+01 -0.102251D+02 -0.200811D+00 -0.873351D+01  0.894147D+01
      3  -0.374454D+01 -0.421550D+00  0.123070D+01 -0.279255D+01  0.428020D+01
      4  -0.129257D+01  0.433221D+01  0.140686D+02  0.946064D+00 -0.394061D+01
      5   0.416495D+01 -0.835799D+01 -0.158436D+02 -0.169141D+01 -0.113511D+01
      6   0.292409D+00 -0.178047D+01 -0.419312D+01 -0.170071D+01  0.601580D+01
                46            47            48            49            50 
      1  -0.899026D+00 -0.605503D+01 -0.864097D+01 -0.788703D+01 -0.479554D+01
      2   0.463910D+01  0.243251D+01  0.119579D+02  0.285307D+01  0.456643D+01
      3  -0.374007D+01  0.362253D+01 -0.331690D+01  0.503397D+01  0.229113D+00
      4   0.509668D+01 -0.515428D+01 -0.670085D+01 -0.593727D+01  0.501323D+01
      5   0.211800D+01 -0.197295D+01 -0.705701D+01 -0.298684D+01  0.405290D+01
      6  -0.382450D+01  0.151578D+02  0.582073D+01  0.119188D+02 -0.224599D+01
                51            52            53            54            55 
      1  -0.194554D+01 -0.799027D+01 -0.390542D+01  0.434308D+01 -0.118054D+01
      2   0.428124D+01  0.108922D+02  0.639854D+01 -0.524821D+01  0.242990D+01
      3  -0.233570D+01 -0.290193D+01 -0.249312D+01  0.905128D+00 -0.124936D+01
      4   0.812660D+01 -0.107471D+02  0.998416D+01  0.401446D+01  0.233067D-01
      5   0.498532D+01 -0.384794D+01  0.522673D+01  0.179813D+01 -0.168915D+01
      6  -0.601342D+01  0.646065D+01 -0.743353D+01 -0.412430D+01  0.338687D+01
                56            57            58            59            60 
      1   0.793628D+01  0.102024D+02  0.101307D+02  0.103102D+02  0.257206D+01
      2  -0.168586D+02 -0.147319D+02 -0.150368D+02 -0.217320D+02 -0.857018D+01
      3   0.892231D+01  0.452949D+01  0.490604D+01  0.114218D+02  0.599812D+01
      4  -0.473195D+01  0.318314D+01 -0.216888D+01 -0.111709D+02 -0.919090D+01
      5  -0.153828D+01 -0.313701D+01 -0.255528D+01 -0.347485D+01  0.199663D+01
      6  -0.155751D+02  0.956856D+01 -0.108672D+02 -0.785084D+01 -0.784888D+00
                61            62            63            64            65 
      1   0.104354D+02  0.497201D+01  0.174329D+01 -0.212998D+02 -0.218378D+02
      2  -0.145916D+02 -0.128803D+02 -0.197022D+01  0.181763D+02  0.118100D+02
      3   0.415622D+01  0.790825D+01  0.226933D+00  0.312350D+01  0.100278D+02
      4   0.500622D+01 -0.130418D+02  0.574668D+01 -0.220358D+02  0.402573D+01
      5  -0.361800D+01  0.182006D+01 -0.383502D+01 -0.673018D+01 -0.104446D+02
      6   0.960616D+01 -0.503329D+01  0.436032D+01 -0.300144D+01  0.380391D+01
                66            67            68            69            70 
      1  -0.857794D+01 -0.298862D+02  0.484938D+01 -0.152200D+02 -0.844621D+01
      2   0.710226D+01  0.166803D+02 -0.504540D+01  0.113204D+02  0.601828D+01
      3   0.147569D+01  0.132059D+02  0.196016D+00  0.389961D+01  0.242793D+01
      4  -0.786705D+01 -0.451019D+00  0.910085D+01 -0.498091D+01 -0.963278D+01
      5  -0.712944D+01 -0.133275D+02 -0.778881D+01  0.203524D+02 -0.122618D+02
      6   0.145858D+01  0.193888D+01  0.706822D+01 -0.142282D+02  0.764828D+01
                71            72            73            74            75 
      1  -0.148065D+02  0.366667D+00  0.154770D+01  0.201396D+01 -0.342962D+01
      2   0.113527D+02 -0.667762D+01 -0.340730D+01 -0.190555D+01  0.682901D+00
      3   0.345383D+01  0.631096D+01  0.185959D+01 -0.108414D+00  0.274672D+01
      4  -0.411852D+01  0.213372D+02  0.223654D+01  0.142090D+01 -0.941331D+00
      5   0.214505D+02  0.111021D+02 -0.298173D+01 -0.334381D+00  0.438500D+01
      6  -0.155998D+02 -0.311267D+01 -0.115569D+01  0.312326D+00 -0.857671D+00
                76            77            78            79            80 
      1   0.683302D+00 -0.170264D+01 -0.181146D+01 -0.199928D+01  0.393309D+00
      2   0.582650D+00 -0.150163D+01 -0.589036D+01  0.521381D+01 -0.401555D+01
      3  -0.126595D+01  0.320427D+01  0.770182D+01 -0.321453D+01  0.362224D+01
      4   0.227489D+01 -0.220248D+01 -0.186620D+01 -0.190144D+01 -0.263426D+01
      5   0.174607D+01 -0.179115D+01 -0.563918D+01  0.888211D+01 -0.139461D+01
      6  -0.651283D+00  0.178077D+01  0.351893D+01  0.121724D+01  0.493256D+01
                81            82            83            84            85 
      1  -0.157458D+02  0.402614D+02  0.108097D+02 -0.321645D+01  0.929999D+01
      2  -0.223106D+02 -0.162661D+02 -0.117241D+01  0.300049D+01 -0.202273D+00
      3   0.380565D+02 -0.239953D+02 -0.963729D+01  0.215957D+00 -0.909772D+01
      4   0.213882D+00  0.327973D+02  0.199593D+02 -0.543492D+01  0.177248D+02
      5  -0.211649D+02 -0.160633D+02 -0.761269D+01  0.900700D+01 -0.529157D+01
      6  -0.891922D+01 -0.780885D+01 -0.599043D+01  0.469700D+01 -0.399641D+01
                86            87            88            89            90 
      1   0.452437D+01 -0.138004D+01  0.388430D+01  0.228418D-01  0.232804D+01
      2   0.383624D+01  0.335446D+00 -0.741654D-01  0.864910D+00 -0.372011D+01
      3  -0.836060D+01  0.104459D+01 -0.381014D+01 -0.887752D+00  0.139207D+01
      4   0.137877D+02 -0.224400D+01  0.148681D+01  0.243305D+01  0.319015D+01
      5  -0.274956D+01  0.248364D+01  0.592755D+01  0.153183D+01 -0.278635D+01
      6  -0.366509D+01  0.276985D+01  0.282568D+01  0.139300D+01 -0.862921D+00
                91            92            93            94            95 
      1  -0.160676D+02  0.812453D+01  0.163091D+02  0.148515D+02 -0.113283D+02
      2   0.108492D+02 -0.146814D+02 -0.524249D+01 -0.232051D+02 -0.431957D+01
      3   0.521843D+01  0.655687D+01 -0.110666D+02  0.835367D+01  0.156479D+02
      4   0.892997D+01 -0.886810D+01 -0.117662D+02 -0.118469D+02 -0.160958D+02
      5   0.130556D+02 -0.169863D+02  0.508329D+01 -0.243602D+02 -0.200856D+01
      6  -0.705898D+01  0.109837D-01  0.127108D+02 -0.983553D+00  0.312032D+00
                96            97            98            99           100 
      1  -0.168742D+02  0.134738D+02 -0.138919D+02  0.185175D+02 -0.131861D+02
      2   0.780389D+01 -0.439072D+01  0.284451D+01 -0.480348D+01  0.106776D+00
      3   0.907032D+01 -0.908313D+01  0.110474D+02 -0.137141D+02  0.130793D+02
      4  -0.878059D+01 -0.161248D+02 -0.105465D+02  0.692892D+01  0.111163D+02
      5   0.118037D+02  0.954213D+01  0.606560D+01 -0.170790D+01  0.550500D+00
      6   0.365308D+01  0.125462D+02  0.213820D+01  0.169145D+01 -0.545410D+00
               101           102           103           104           105 
      1   0.122744D+02 -0.367388D+01  0.143399D+02 -0.174205D+02 -0.153973D+02
      2   0.211742D+01 -0.516930D+01  0.373351D+00  0.108451D+02  0.575713D+01
      3  -0.143918D+02  0.884318D+01 -0.147132D+02  0.657544D+01  0.964019D+01
      4  -0.191929D+02 -0.114156D+02 -0.248489D+02 -0.349704D+01 -0.800645D+01
      5  -0.916406D+01  0.124144D+02 -0.121043D+02 -0.128775D+02 -0.456438D+01
      6  -0.602082D+01 -0.646101D+01 -0.981815D+01 -0.447139D+01 -0.565959D+01
               106           107           108           109           110 
      1   0.148572D+01 -0.180420D+02  0.185175D+02 -0.241159D+00  0.329398D+01
      2  -0.676934D+01  0.767761D+01 -0.728080D+01 -0.439470D+01  0.483685D+01
      3   0.528362D+01  0.103644D+02 -0.112367D+02  0.463586D+01 -0.813083D+01
      4  -0.165695D+02 -0.343334D+01 -0.253239D+01 -0.672386D+01 -0.535890D+01
      5   0.160824D+02 -0.571306D+01  0.421630D+01 -0.284489D+01 -0.130870D+02
      6  -0.909875D+01 -0.311238D+01  0.843826D+00 -0.751501D+01 -0.104174D+02
               111           112           113           114           115 
      1   0.471895D+01  0.555590D+00  0.199108D+00 -0.992315D+01  0.507798D+01
      2  -0.539278D+01  0.593903D+01  0.224824D+01 -0.551812D+01 -0.601777D+01
      3   0.673835D+00 -0.649462D+01 -0.244735D+01  0.154413D+02  0.939787D+00
      4  -0.805288D+01 -0.785286D+01 -0.259911D+01 -0.642917D+01 -0.699412D+01
      5  -0.199903D+01 -0.131012D+02 -0.785713D+01 -0.531724D+01 -0.426906D+01
      6  -0.114179D+02 -0.922304D+01 -0.433397D+01 -0.508235D+01 -0.776406D+01
               116           117           118           119           120 
      1  -0.978593D+01 -0.349614D+01  0.357592D+01  0.278024D+01  0.185684D+01
      2  -0.510133D+01  0.467761D+01 -0.152757D+01 -0.503014D+01 -0.159263D+00
      3   0.148873D+02 -0.118147D+01 -0.204835D+01  0.224990D+01 -0.169758D+01
      4  -0.523351D+01  0.322597D+01 -0.145373D+02  0.126099D+02  0.915511D+01
      5  -0.181615D+01 -0.155475D+01 -0.113311D+02  0.724343D+01  0.105527D+02
      6  -0.304276D+01  0.670265D+01  0.999902D+01 -0.963195D+01 -0.934794D+01
               121           122           123           124           125 
      1   0.369049D+01 -0.938569D+01 -0.564755D+01  0.231865D+01 -0.601499D+01
      2  -0.560912D+01  0.133353D+02  0.420050D+01 -0.558672D+00  0.329525D+01
      3   0.191863D+01 -0.394963D+01  0.144705D+01 -0.175998D+01  0.271974D+01
      4   0.108276D+02 -0.130640D+02 -0.776333D+01  0.838669D+01 -0.825854D+01
      5   0.601090D+01 -0.703584D+01 -0.585851D+01  0.950820D+01 -0.686176D+01
      6  -0.902953D+01  0.142900D+02  0.125091D+02 -0.934898D+01  0.135577D+02
               126           127           128           129           130 
      1  -0.820052D+01 -0.197323D+01 -0.749818D+01 -0.128734D+01 -0.508660D+01
      2  -0.848407D-01  0.829739D+01  0.181420D+02  0.311753D+01  0.123475D+02
      3   0.828536D+01 -0.632416D+01 -0.106438D+02 -0.183019D+01 -0.726086D+01
      4  -0.899333D+01  0.913662D+01  0.147893D+02  0.153310D+01  0.111836D+02
      5  -0.985349D+01  0.540944D+00  0.767166D+00  0.279708D+01  0.126444D+00
      6   0.155735D+02  0.105390D+01  0.278780D+01  0.191687D+01  0.228302D+01
               131           132           133           134           135 
      1  -0.318334D+02 -0.406833D+01 -0.229967D+01 -0.992382D+01 -0.542851D+01
      2   0.615770D+02  0.805254D+01  0.463923D+01  0.186066D+02  0.776439D+01
      3  -0.297436D+02 -0.398421D+01 -0.233956D+01 -0.868282D+01 -0.233588D+01
      4   0.182643D+02  0.319697D+01  0.341426D+01  0.626063D+01  0.268465D+01
      5   0.245732D+01  0.132076D+01  0.242603D+01  0.215812D+01  0.161913D+01
      6   0.721711D+01  0.851951D+01  0.160817D+01  0.109836D+02  0.617452D+01
               136           137           138           139           140 
      1   0.102892D+01  0.710741D+01 -0.470807D+01  0.382030D+01 -0.819408D+01
      2  -0.216433D+00 -0.942094D+01  0.452663D+01 -0.514032D+01  0.125432D+02
      3  -0.812490D+00  0.231353D+01  0.181438D+00  0.132002D+01 -0.434910D+01
      4  -0.111084D+02  0.790177D+01 -0.697278D+01  0.569473D+01 -0.495199D+01
      5   0.771212D+01 -0.261752D+01  0.574685D+01 -0.118275D+01  0.413856D+01
      6  -0.815464D+01  0.990223D+01 -0.104854D+02  0.682867D+01 -0.912585D+01
               141           142           143           144           145 
      1   0.554311D+01 -0.409629D+01  0.989831D+01 -0.103188D+02  0.120936D+01
      2  -0.543233D+01  0.262319D+01 -0.934902D+01  0.329159D+01 -0.209586D+00
      3  -0.110781D+00  0.147310D+01 -0.549288D+00  0.702717D+01 -0.999771D+00
      4   0.487581D+01 -0.783510D+01  0.615969D+01 -0.700267D+01 -0.442720D+00
      5  -0.236411D+01  0.731834D+01 -0.300833D+01  0.554996D+01  0.277271D+01
      6   0.964140D+01 -0.943109D+01  0.151032D+02 -0.198973D+02 -0.221904D+01
               146           147           148           149           150 
      1  -0.265765D+01  0.474372D+01 -0.302251D+01 -0.106561D+02  0.775860D+01
      2   0.183113D+01 -0.227396D+01 -0.128049D+01  0.196481D+02 -0.836062D+01
      3   0.826517D+00 -0.246975D+01  0.430300D+01 -0.899206D+01  0.602019D+00
      4   0.284986D+01 -0.166486D+01  0.114873D+02 -0.255088D+02  0.120138D+02
      5  -0.642990D+00  0.183156D+01 -0.373752D+01  0.131511D+02 -0.139741D+02
      6  -0.115396D+01  0.870593D+00  0.280415D+01 -0.157417D+02  0.139062D+02
               151           152           153           154           155 
      1   0.689937D+01  0.792820D+01 -0.706242D+01  0.621171D+02  0.118590D+02
      2  -0.288845D+01 -0.922197D+01  0.351832D+01 -0.362910D+02 -0.805778D+01
      3  -0.401093D+01  0.129377D+01  0.354410D+01 -0.258261D+02 -0.380124D+01
      4  -0.704913D+01  0.153330D+02 -0.128627D+02  0.366032D+01  0.918728D+01
      5   0.806338D+01 -0.144422D+02  0.141798D+02  0.144587D+02  0.320130D+01
      6  -0.383662D+01  0.150003D+02 -0.137346D+02 -0.832049D+00  0.488657D+00
               156           157           158           159           160 
      1   0.997971D+01  0.296180D+02  0.890652D+01  0.518995D+01  0.134207D+02
      2  -0.724724D+01 -0.175991D+02 -0.524794D+01 -0.451450D+01 -0.946525D+01
      3  -0.273247D+01 -0.120189D+02 -0.365858D+01 -0.675454D+00 -0.395549D+01
      4   0.126296D+01  0.859237D+01  0.100123D+02  0.272432D+01  0.134440D+01
      5   0.116160D+02  0.748398D+01  0.392390D+01  0.501808D+01  0.135319D+02
      6  -0.139592D+01  0.374490D+00  0.486873D+00  0.186078D+01 -0.140666D+01
               161           162           163           164           165 
      1   0.353168D+01  0.749160D+01  0.100020D+02 -0.202187D+01 -0.500483D+01
      2  -0.332061D+01 -0.557850D+01 -0.502514D+01 -0.540286D+00  0.173700D+01
      3  -0.211069D+00 -0.191310D+01 -0.497686D+01  0.256216D+01  0.326783D+01
      4   0.355257D+01 -0.781141D+00 -0.565044D+01  0.624766D+01  0.681551D+01
      5   0.527481D+00  0.615114D+01 -0.703437D+01  0.575587D+01  0.891696D+01
      6   0.307684D+01  0.813727D-03  0.412902D+01 -0.264776D+01 -0.326043D+01
               166           167           168           169           170 
      1  -0.267051D+01 -0.234822D+00  0.188022D+01 -0.128453D+02  0.334505D+01
      2  -0.169745D+01  0.608602D+01  0.146415D+01  0.577786D+01  0.181168D+01
      3   0.436796D+01 -0.585120D+01 -0.334437D+01  0.706744D+01 -0.515673D+01
      4   0.112791D+02 -0.150607D+02 -0.866265D+01  0.145078D+02 -0.146301D+02
      5   0.703625D+01 -0.769559D+01 -0.122105D+02  0.158513D+02 -0.142103D+02
      6  -0.398422D+01  0.617480D+01  0.998522D+01 -0.725092D+01  0.110132D+02
               171           172           173           174           175 
      1   0.157215D+01 -0.796831D+01  0.124788D+01 -0.109332D+02 -0.372591D+00
      2  -0.324485D+01  0.128691D+01  0.134563D+00 -0.426104D+00  0.173612D+01
      3   0.167269D+01  0.668140D+01 -0.138244D+01  0.113593D+02 -0.136353D+01
      4  -0.145716D+02 -0.476406D+01 -0.122013D+01  0.920566D+00  0.195025D+01
      5  -0.280284D+02  0.618028D+01  0.444952D+01 -0.305103D+01  0.291784D+01
      6   0.152820D+02  0.468926D+00  0.488242D+01 -0.661582D+01  0.220692D+01
               176           177           178           179           180 
      1  -0.464761D+01  0.760311D+01 -0.992890D+01  0.751927D+01 -0.235199D+02
      2   0.237321D+01 -0.189746D+01  0.211703D+01 -0.126661D+01 -0.815739D+01
      3   0.227440D+01 -0.570565D+01  0.781187D+01 -0.625266D+01  0.316773D+02
      4   0.309678D+01 -0.187580D+01 -0.150775D+01 -0.282710D+01  0.229183D+01
      5  -0.167907D+01  0.171160D+01  0.403428D+01  0.388849D+01 -0.160843D+02
      6  -0.513902D+01  0.795540D+01 -0.270889D+01  0.893433D+01 -0.150142D+02
               181           182           183           184           185 
      1   0.111659D+02  0.584781D+01 -0.359575D+00  0.881151D+01  0.192846D+01
      2  -0.138296D+01  0.363371D+01  0.819463D+00  0.504819D+01  0.193745D+02
      3  -0.978291D+01 -0.948152D+01 -0.459888D+00 -0.138597D+02 -0.213030D+02
      4   0.120590D+02  0.152676D+02  0.215770D+01  0.218944D+02  0.336590D+02
      5  -0.275782D+01  0.847896D-01  0.273003D+01 -0.164983D+01 -0.169324D+01
      6  -0.110289D+01 -0.286016D+01  0.610318D-01 -0.435919D+01 -0.874365D+01
               186           187           188           189           190 
      1   0.270083D+01  0.459335D+01  0.328368D+01 -0.104192D+01  0.451831D+02
      2   0.187769D+01 -0.225648D-01  0.375437D+01  0.204920D+01 -0.302983D+02
      3  -0.457852D+01 -0.457079D+01 -0.703805D+01 -0.100728D+01 -0.148848D+02
      4   0.127103D+01  0.798056D+01  0.881184D+01  0.323826D+01 -0.553996D+01
      5   0.581749D+01  0.138146D+01  0.283531D+01  0.391279D+01 -0.286033D+02
      6   0.478693D+01 -0.727039D-01  0.210318D+01  0.158647D+01  0.314519D+01
               191           192           193           194           195 
      1  -0.101093D+02 -0.126300D+02 -0.213453D+02  0.870002D+01  0.625551D+01
      2   0.844542D+01  0.121011D+02  0.160837D+02 -0.449492D+01 -0.738945D+01
      3   0.166387D+01  0.528883D+00  0.526158D+01 -0.420510D+01  0.113395D+01
      4   0.987289D+01  0.223479D+01  0.101588D+02 -0.814296D+01 -0.258325D+01
      5   0.679843D+01  0.170329D+02  0.163494D+02 -0.639802D+01 -0.120257D+02
      6  -0.444378D+01 -0.140647D+01 -0.420890D+01  0.499700D+01  0.226009D+01
               196           197           198           199           200 
      1  -0.859726D+01  0.278269D+01  0.422344D+01 -0.664800D+01 -0.551594D+01
      2   0.945718D+01 -0.276864D+01 -0.798159D+01  0.309115D+01  0.179566D+01
      3  -0.859922D+00 -0.140563D-01  0.375815D+01  0.355685D+01  0.372028D+01
      4   0.286457D+01 -0.127067D+01 -0.270305D+01  0.253244D-01  0.137269D+01
      5   0.139745D+02 -0.472246D+01 -0.115571D+02 -0.330203D+01  0.528365D+00
      6  -0.223513D+01  0.226585D+01  0.593471D+00 -0.190703D+01 -0.230725D+01
               201           202           203           204           205 
      1   0.844648D+01 -0.689741D+01 -0.472082D+01  0.761335D+01  0.765829D+01
      2   0.220865D+01  0.373972D+01  0.158229D+01  0.359659D+00 -0.172755D+01
      3  -0.106551D+02  0.315769D+01  0.313853D+01 -0.797301D+01 -0.593073D+01
      4   0.191746D+01  0.428575D+01 -0.292571D+01  0.449117D+01  0.683483D+00
      5  -0.346576D+01 -0.170931D+01  0.380336D+01 -0.490393D+01  0.340922D+01
      6   0.290277D+01 -0.660253D+00 -0.509656D+01  0.749498D+01  0.246087D+01
               206           207           208           209           210 
      1   0.860539D+01 -0.201498D+02  0.407801D+02 -0.156549D+02  0.180880D+00
      2  -0.933434D+00 -0.863503D+01 -0.168004D+02  0.336843D+01 -0.147508D+01
      3  -0.767196D+01  0.287849D+02 -0.239797D+02  0.122865D+02  0.129420D+01
      4   0.452313D+01 -0.475289D+01 -0.235234D+02  0.186895D+02  0.184711D+00
      5  -0.394175D+01  0.151933D+02  0.934662D+01 -0.299419D+01  0.701923D+01
      6   0.775335D+01 -0.956456D+01 -0.499232D+01  0.495479D+01 -0.131604D+01
               211           212           213           214           215 
      1  -0.219363D+02  0.121076D+02  0.138832D+01 -0.100262D+02  0.468382D+01
      2   0.592201D+01  0.376695D+00  0.142303D+01  0.371453D+01 -0.135346D+00
      3   0.160142D+02 -0.124843D+02 -0.281135D+01  0.631170D+01 -0.454848D+01
      4   0.233691D+02 -0.202397D+02  0.148524D+01  0.603737D+01 -0.415982D+01
      5  -0.520205D+01  0.462544D+01 -0.579905D+01  0.349907D+01 -0.248539D+01
      6   0.578232D+01 -0.456314D+01  0.361213D+01 -0.427398D+00  0.172813D+01
               216           217           218           219           220 
      1   0.184103D+01  0.164520D+02  0.630720D+01  0.552442D+01  0.135580D+02
      2  -0.624743D+00 -0.932296D+01 -0.467605D+01 -0.473122D+01 -0.895389D+01
      3  -0.121628D+01 -0.712901D+01 -0.163115D+01 -0.793205D+00 -0.460410D+01
      4  -0.361876D+01  0.940508D+01  0.123262D+02  0.567075D+01  0.173200D+02
      5  -0.291358D+01  0.118954D+02  0.786731D+01  0.832956D+01  0.150593D+02
      6   0.143088D+00  0.471854D+01  0.526697D+01  0.397568D+01  0.820114D+01
               221           222           223           224           225 
      1   0.707902D+01  0.418115D+01  0.405650D+01  0.259679D+01 -0.177404D+00
      2  -0.227574D+01 -0.636651D+01 -0.489913D+01 -0.375755D+01 -0.496011D+01
      3  -0.480328D+01  0.218535D+01  0.842633D+00  0.116076D+01  0.513752D+01
      4   0.209258D+02  0.895593D+01  0.608645D+01  0.592175D+01  0.657619D+01
      5   0.114418D+02  0.143705D+02  0.888214D+01  0.803881D+01  0.104992D+02
      6   0.123147D+02  0.820798D+01  0.475537D+01  0.632631D+01  0.502000D+01
               226           227           228           229           230 
      1   0.187446D+01  0.398519D+00  0.201837D+01 -0.138398D+00 -0.420959D+01
      2  -0.345448D+01 -0.186984D+01  0.226924D+01 -0.572795D+00 -0.332081D+01
      3   0.158001D+01  0.147132D+01 -0.428762D+01  0.711193D+00  0.753040D+01
      4   0.215642D+01  0.253011D+01  0.233851D+00  0.330145D+01 -0.213854D+01
      5  -0.560068D+01 -0.253555D+01  0.485671D+01 -0.407252D+01  0.199855D+01
      6  -0.279878D+01 -0.707654D+00  0.101461D+01 -0.353269D+00 -0.844438D+01
               231           232           233           234           235 
      1   0.839717D+01  0.100130D+01  0.574111D+01 -0.160768D+02  0.793242D+01
      2   0.777018D+01  0.681864D+00  0.538067D+01 -0.170767D+02 -0.570123D+01
      3  -0.161674D+02 -0.168316D+01 -0.111218D+02  0.331535D+02 -0.223119D+01
      4   0.284401D+01 -0.110790D-01  0.169539D+01 -0.195028D+01  0.135197D+02
      5  -0.366214D+01  0.590228D+01 -0.103298D+01  0.595517D+01  0.173251D+02
      6   0.978834D+01  0.164575D+01  0.821632D+01 -0.710045D+01  0.102748D+02
               236           237           238           239           240 
      1   0.608029D+00 -0.316122D+00  0.347901D+00 -0.501619D+01 -0.339714D+01
      2  -0.834190D+00 -0.482456D+01 -0.175364D+00  0.555502D+01 -0.106853D+00
      3   0.226161D+00  0.514068D+01 -0.172537D+00 -0.538831D+00  0.350399D+01
      4   0.115660D+02  0.823582D+01  0.120163D+02  0.131160D+02  0.821829D+01
      5   0.107085D+02  0.145650D+02  0.115087D+02  0.100329D+02  0.986177D+01
      6   0.937130D+01  0.964764D+01  0.101111D+02  0.143655D+02  0.124394D+02
               241           242           243 
      1  -0.152736D+01 -0.246628D+01 -0.442935D+01
      2  -0.296897D+01 -0.149340D+00 -0.488745D+01
      3   0.449633D+01  0.261562D+01  0.931680D+01
      4   0.566740D+01  0.501078D+01  0.601531D+01
      5   0.100558D+02  0.683367D+01  0.112656D+02
      6   0.736291D+01  0.884183D+01  0.941114D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul 22 20:25:53 2021, MaxMem= 17179869184 cpu:           16469.2 elap:            1376.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.25440 -10.37923 -10.31555 -10.31458 -10.30884
 Alpha  occ. eigenvalues --  -10.30549 -10.30201 -10.29998 -10.29341 -10.29086
 Alpha  occ. eigenvalues --  -10.28749  -1.13594  -0.98653  -0.89421  -0.84507
 Alpha  occ. eigenvalues --   -0.81496  -0.77988  -0.76420  -0.73663  -0.67122
 Alpha  occ. eigenvalues --   -0.64759  -0.59713  -0.57651  -0.57269  -0.54865
 Alpha  occ. eigenvalues --   -0.53448  -0.52279  -0.50736  -0.49384  -0.48789
 Alpha  occ. eigenvalues --   -0.47517  -0.46937  -0.46122  -0.45147  -0.44251
 Alpha  occ. eigenvalues --   -0.43696  -0.43592  -0.42105  -0.40757  -0.39511
 Alpha  occ. eigenvalues --   -0.39002  -0.31790
 Alpha virt. eigenvalues --    0.05560   0.07989   0.09706   0.10181   0.10945
 Alpha virt. eigenvalues --    0.12895   0.13343   0.13900   0.14014   0.14317
 Alpha virt. eigenvalues --    0.15860   0.16819   0.17671   0.17994   0.18445
 Alpha virt. eigenvalues --    0.18843   0.19429   0.19830   0.21224   0.21832
 Alpha virt. eigenvalues --    0.22386   0.23189   0.23431   0.23579   0.23997
 Alpha virt. eigenvalues --    0.24961   0.25899   0.26229   0.26945   0.27718
 Alpha virt. eigenvalues --    0.27935   0.28671   0.29067   0.29716   0.30746
 Alpha virt. eigenvalues --    0.31548   0.32129   0.33172   0.33605   0.34212
 Alpha virt. eigenvalues --    0.35093   0.35676   0.36546   0.36967   0.37309
 Alpha virt. eigenvalues --    0.37703   0.38321   0.38670   0.39632   0.39733
 Alpha virt. eigenvalues --    0.40007   0.40141   0.40754   0.41116   0.41563
 Alpha virt. eigenvalues --    0.41869   0.42074   0.42572   0.42995   0.43035
 Alpha virt. eigenvalues --    0.43637   0.44265   0.44349   0.45181   0.45452
 Alpha virt. eigenvalues --    0.45730   0.45976   0.46489   0.47259   0.47852
 Alpha virt. eigenvalues --    0.48162   0.48806   0.49075   0.49600   0.49785
 Alpha virt. eigenvalues --    0.50766   0.51410   0.51954   0.52184   0.52548
 Alpha virt. eigenvalues --    0.53179   0.53898   0.54598   0.55302   0.55589
 Alpha virt. eigenvalues --    0.55984   0.56501   0.56990   0.57347   0.57892
 Alpha virt. eigenvalues --    0.58401   0.58713   0.59412   0.59947   0.60278
 Alpha virt. eigenvalues --    0.60985   0.61405   0.62290   0.62571   0.63014
 Alpha virt. eigenvalues --    0.63421   0.63996   0.64171   0.65527   0.66308
 Alpha virt. eigenvalues --    0.66946   0.67111   0.67636   0.68062   0.68344
 Alpha virt. eigenvalues --    0.68949   0.69500   0.70375   0.70659   0.71125
 Alpha virt. eigenvalues --    0.71643   0.72649   0.73918   0.74143   0.75326
 Alpha virt. eigenvalues --    0.75759   0.76400   0.77390   0.78073   0.78317
 Alpha virt. eigenvalues --    0.78820   0.80110   0.80703   0.81562   0.82831
 Alpha virt. eigenvalues --    0.83409   0.84231   0.85928   0.87362   0.87589
 Alpha virt. eigenvalues --    0.88263   0.89426   0.90052   0.90915   0.91260
 Alpha virt. eigenvalues --    0.92171   0.92764   0.95025   0.97994   0.98417
 Alpha virt. eigenvalues --    0.99459   1.00384   1.01543   1.02555   1.02872
 Alpha virt. eigenvalues --    1.05375   1.06225   1.07278   1.08340   1.09251
 Alpha virt. eigenvalues --    1.09705   1.10422   1.10973   1.11285   1.11836
 Alpha virt. eigenvalues --    1.12601   1.13402   1.14829   1.16169   1.17144
 Alpha virt. eigenvalues --    1.17770   1.18779   1.19824   1.22265   1.23152
 Alpha virt. eigenvalues --    1.24172   1.26838   1.27777   1.29842   1.30604
 Alpha virt. eigenvalues --    1.31822   1.33453   1.34577   1.37256   1.39442
 Alpha virt. eigenvalues --    1.39672   1.40801   1.43921   1.44703   1.45494
 Alpha virt. eigenvalues --    1.46969   1.47890   1.50221   1.51754   1.53037
 Alpha virt. eigenvalues --    1.55550   1.55828   1.57317   1.58869   1.61310
 Alpha virt. eigenvalues --    1.64443   1.65202   1.66528   1.68896   1.69639
 Alpha virt. eigenvalues --    1.72648   1.74276   1.75248   1.77412   1.78368
 Alpha virt. eigenvalues --    1.79294   1.81668   1.82527   1.84152   1.85062
 Alpha virt. eigenvalues --    1.86800   1.88263   1.89953   1.90948   1.91582
 Alpha virt. eigenvalues --    1.92044   1.93437   1.95557   1.96539   1.97506
 Alpha virt. eigenvalues --    1.99450   1.99911   2.00567   2.01218   2.01768
 Alpha virt. eigenvalues --    2.03110   2.04157   2.06106   2.07329   2.08526
 Alpha virt. eigenvalues --    2.10197   2.11767   2.12360   2.13082   2.14671
 Alpha virt. eigenvalues --    2.15181   2.17654   2.18638   2.21233   2.21474
 Alpha virt. eigenvalues --    2.21870   2.24285   2.25049   2.26612   2.28454
 Alpha virt. eigenvalues --    2.28769   2.30542   2.31472   2.34154   2.34966
 Alpha virt. eigenvalues --    2.35361   2.36385   2.38247   2.39207   2.40888
 Alpha virt. eigenvalues --    2.42680   2.44465   2.45569   2.47562   2.49065
 Alpha virt. eigenvalues --    2.49602   2.52182   2.53778   2.56008   2.58506
 Alpha virt. eigenvalues --    2.60461   2.61170   2.64297   2.64890   2.67185
 Alpha virt. eigenvalues --    2.69370   2.69697   2.71533   2.74242   2.75524
 Alpha virt. eigenvalues --    2.76884   2.78605   2.78961   2.80407   2.84008
 Alpha virt. eigenvalues --    2.84874   2.87559   2.88999   2.93218   2.93700
 Alpha virt. eigenvalues --    2.95222   3.03504   3.05563   3.06313   3.09348
 Alpha virt. eigenvalues --    3.12329   3.13273   3.13759   3.16983   3.17417
 Alpha virt. eigenvalues --    3.20255   3.21579   3.22906   3.24747   3.25454
 Alpha virt. eigenvalues --    3.26685   3.28148   3.32309   3.33165   3.35918
 Alpha virt. eigenvalues --    3.38070   3.40662   3.58395   4.02473
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   10.826062  -0.186368  -0.463622  -0.049768  -0.411059   0.464293
     2  C   -0.186368   5.062464   0.147417  -0.021736  -0.152031   0.020008
     3  C   -0.463622   0.147417   6.439764  -0.333021  -0.956031  -0.158804
     4  O   -0.049768  -0.021736  -0.333021   8.835147   0.171806   0.019854
     5  C   -0.411059  -0.152031  -0.956031   0.171806  14.291813  -1.118911
     6  C    0.464293   0.020008  -0.158804   0.019854  -1.118911   6.465653
     7  C    0.298327   0.048459  -0.184839   0.008046  -0.048504   0.317541
     8  C   -0.883132   0.042597   0.053307  -0.004537   0.003690  -0.045729
     9  H    0.199097   0.163988  -0.074655   0.024266  -0.152183   0.080234
    10  H   -0.059589   0.062352   0.021077   0.004428   0.039101  -0.063203
    11  C    0.040460  -0.000725   0.040626  -0.040927  -0.614095   0.038551
    12  C   -0.117093   0.027360   0.237644  -0.087075  -1.518306   0.071343
    13  C   -0.633294  -0.125140   0.070822  -0.002471  -0.039561  -0.202213
    14  H   -0.223752   0.020376   0.098861  -0.005441  -0.128020   0.039116
    15  H    0.037811  -0.031436   0.016176  -0.002442  -0.007430   0.087099
    16  H   -0.116430   0.073161  -0.019953   0.001768   0.059870  -0.097648
    17  H    0.198682   0.002377  -0.000357   0.005537   0.003979   0.000358
    18  H    0.170536  -0.010368  -0.002199   0.003050  -0.004001  -0.000003
    19  H    0.264211  -0.017836  -0.013854  -0.002722   0.008350  -0.003122
    20  H   -0.005449  -0.002105  -0.093560   0.028799   0.282949  -0.072037
    21  H   -0.014996   0.000216   0.060050  -0.014843   0.107276   0.030572
    22  H    0.000709   0.000500   0.004755   0.001572   0.108646   0.029524
    23  H   -0.039498  -0.009972   0.036529   0.002620   0.017615  -0.052457
    24  H    0.011674   0.005626  -0.008394   0.005677   0.067224   0.041803
    25  H    0.016445  -0.001506  -0.008267  -0.005672   0.298712   0.004935
    26  H   -0.050634   0.049414   0.104397  -0.041354  -0.099291  -0.045978
    27  H    0.212749  -0.054576  -0.028937   0.009133   0.178384  -0.088378
               7          8          9         10         11         12
     1  C    0.298327  -0.883132   0.199097  -0.059589   0.040460  -0.117093
     2  C    0.048459   0.042597   0.163988   0.062352  -0.000725   0.027360
     3  C   -0.184839   0.053307  -0.074655   0.021077   0.040626   0.237644
     4  O    0.008046  -0.004537   0.024266   0.004428  -0.040927  -0.087075
     5  C   -0.048504   0.003690  -0.152183   0.039101  -0.614095  -1.518306
     6  C    0.317541  -0.045729   0.080234  -0.063203   0.038551   0.071343
     7  C    4.961676  -0.040229  -0.024186  -0.103660   0.022620  -0.093209
     8  C   -0.040229   4.958162  -0.025290   0.045898   0.004257  -0.002291
     9  H   -0.024186  -0.025290   1.372193  -0.435943   0.003455   0.021511
    10  H   -0.103660   0.045898  -0.435943   1.613655  -0.002304  -0.005615
    11  C    0.022620   0.004257   0.003455  -0.002304   4.869165  -0.074910
    12  C   -0.093209  -0.002291   0.021511  -0.005615  -0.074910   5.492477
    13  C   -0.182909   0.093616  -0.009705   0.092653  -0.109707   0.067222
    14  H   -0.275422   0.004405   0.001951   0.005509  -0.057953   0.112309
    15  H    0.283886  -0.011441   0.101178  -0.269270   0.002438   0.004713
    16  H    0.137601   0.005584  -0.230393   0.166985  -0.007068  -0.051503
    17  H   -0.001704   0.103833  -0.002393   0.003734  -0.001021   0.000087
    18  H    0.001129   0.134192  -0.008196   0.017027  -0.000009  -0.000090
    19  H    0.001444   0.130526   0.001996  -0.013887   0.000271  -0.000485
    20  H   -0.002665  -0.004769   0.000308  -0.000060   0.286637  -0.004510
    21  H   -0.000503   0.001909   0.000090  -0.000004  -0.060398   0.056671
    22  H    0.000686   0.000030   0.000298   0.000000   0.023777   0.007646
    23  H   -0.008183  -0.000070   0.013608   0.002610  -0.001487   0.289531
    24  H   -0.018676  -0.000265   0.001129  -0.000450   0.015461   0.076112
    25  H    0.005014  -0.000352  -0.000624   0.000067   0.012252  -0.047052
    26  H    0.061478  -0.000781  -0.002853  -0.008136  -0.060079   0.003452
    27  H   -0.069722   0.013712  -0.004663   0.015863  -0.003878  -0.005504
              13         14         15         16         17         18
     1  C   -0.633294  -0.223752   0.037811  -0.116430   0.198682   0.170536
     2  C   -0.125140   0.020376  -0.031436   0.073161   0.002377  -0.010368
     3  C    0.070822   0.098861   0.016176  -0.019953  -0.000357  -0.002199
     4  O   -0.002471  -0.005441  -0.002442   0.001768   0.005537   0.003050
     5  C   -0.039561  -0.128020  -0.007430   0.059870   0.003979  -0.004001
     6  C   -0.202213   0.039116   0.087099  -0.097648   0.000358  -0.000003
     7  C   -0.182909  -0.275422   0.283886   0.137601  -0.001704   0.001129
     8  C    0.093616   0.004405  -0.011441   0.005584   0.103833   0.134192
     9  H   -0.009705   0.001951   0.101178  -0.230393  -0.002393  -0.008196
    10  H    0.092653   0.005509  -0.269270   0.166985   0.003734   0.017027
    11  C   -0.109707  -0.057953   0.002438  -0.007068  -0.001021  -0.000009
    12  C    0.067222   0.112309   0.004713  -0.051503   0.000087  -0.000090
    13  C    5.490876   0.130721  -0.079653   0.090781  -0.005749   0.001065
    14  H    0.130721   1.964167  -0.038609  -0.006626   0.000365   0.000334
    15  H   -0.079653  -0.038609   1.472662  -0.498511  -0.000241  -0.001346
    16  H    0.090781  -0.006626  -0.498511   1.735309   0.000279   0.000385
    17  H   -0.005749   0.000365  -0.000241   0.000279   0.610102  -0.045565
    18  H    0.001065   0.000334  -0.001346   0.000385  -0.045565   0.638180
    19  H   -0.004477   0.000101   0.000211   0.000178   0.005063  -0.029348
    20  H    0.011821  -0.009034   0.000380  -0.000505   0.000011  -0.000158
    21  H    0.013437   0.008647   0.000076   0.000182   0.000163  -0.000012
    22  H    0.000525  -0.014287   0.000178  -0.001388  -0.000009  -0.000009
    23  H    0.009582   0.009375  -0.001590   0.023373  -0.000005  -0.000007
    24  H   -0.007370   0.023996   0.000520  -0.005300  -0.000029   0.000001
    25  H   -0.003577  -0.001548  -0.000298  -0.000314  -0.000010   0.000004
    26  H    0.002590  -0.035220   0.004419  -0.003149   0.011618  -0.002359
    27  H    0.136410  -0.023470   0.003378   0.014738  -0.008480   0.001518
              19         20         21         22         23         24
     1  C    0.264211  -0.005449  -0.014996   0.000709  -0.039498   0.011674
     2  C   -0.017836  -0.002105   0.000216   0.000500  -0.009972   0.005626
     3  C   -0.013854  -0.093560   0.060050   0.004755   0.036529  -0.008394
     4  O   -0.002722   0.028799  -0.014843   0.001572   0.002620   0.005677
     5  C    0.008350   0.282949   0.107276   0.108646   0.017615   0.067224
     6  C   -0.003122  -0.072037   0.030572   0.029524  -0.052457   0.041803
     7  C    0.001444  -0.002665  -0.000503   0.000686  -0.008183  -0.018676
     8  C    0.130526  -0.004769   0.001909   0.000030  -0.000070  -0.000265
     9  H    0.001996   0.000308   0.000090   0.000298   0.013608   0.001129
    10  H   -0.013887  -0.000060  -0.000004   0.000000   0.002610  -0.000450
    11  C    0.000271   0.286637  -0.060398   0.023777  -0.001487   0.015461
    12  C   -0.000485  -0.004510   0.056671   0.007646   0.289531   0.076112
    13  C   -0.004477   0.011821   0.013437   0.000525   0.009582  -0.007370
    14  H    0.000101  -0.009034   0.008647  -0.014287   0.009375   0.023996
    15  H    0.000211   0.000380   0.000076   0.000178  -0.001590   0.000520
    16  H    0.000178  -0.000505   0.000182  -0.001388   0.023373  -0.005300
    17  H    0.005063   0.000011   0.000163  -0.000009  -0.000005  -0.000029
    18  H   -0.029348  -0.000158  -0.000012  -0.000009  -0.000007   0.000001
    19  H    0.548238  -0.000028   0.000037  -0.000018  -0.000115  -0.000011
    20  H   -0.000028   1.040783  -0.135847  -0.121577  -0.003688   0.006326
    21  H    0.000037  -0.135847   0.715201  -0.011421   0.005626  -0.013448
    22  H   -0.000018  -0.121577  -0.011421   0.697424   0.002049   0.012859
    23  H   -0.000115  -0.003688   0.005626   0.002049   0.931201  -0.112745
    24  H   -0.000011   0.006326  -0.013448   0.012859  -0.112745   0.854715
    25  H   -0.000125  -0.005456   0.020790  -0.018034  -0.063702  -0.083732
    26  H    0.000388  -0.024504   0.005474   0.014163   0.000718  -0.001537
    27  H   -0.000638   0.004498  -0.001022  -0.002015   0.000089   0.000277
              25         26         27
     1  C    0.016445  -0.050634   0.212749
     2  C   -0.001506   0.049414  -0.054576
     3  C   -0.008267   0.104397  -0.028937
     4  O   -0.005672  -0.041354   0.009133
     5  C    0.298712  -0.099291   0.178384
     6  C    0.004935  -0.045978  -0.088378
     7  C    0.005014   0.061478  -0.069722
     8  C   -0.000352  -0.000781   0.013712
     9  H   -0.000624  -0.002853  -0.004663
    10  H    0.000067  -0.008136   0.015863
    11  C    0.012252  -0.060079  -0.003878
    12  C   -0.047052   0.003452  -0.005504
    13  C   -0.003577   0.002590   0.136410
    14  H   -0.001548  -0.035220  -0.023470
    15  H   -0.000298   0.004419   0.003378
    16  H   -0.000314  -0.003149   0.014738
    17  H   -0.000010   0.011618  -0.008480
    18  H    0.000004  -0.002359   0.001518
    19  H   -0.000125   0.000388  -0.000638
    20  H   -0.005456  -0.024504   0.004498
    21  H    0.020790   0.005474  -0.001022
    22  H   -0.018034   0.014163  -0.002015
    23  H   -0.063702   0.000718   0.000089
    24  H   -0.083732  -0.001537   0.000277
    25  H    0.684613  -0.000352  -0.000086
    26  H   -0.000352   1.811375  -0.480156
    27  H   -0.000086  -0.480156   1.340765
 Mulliken charges:
               1
     1  C   -3.486370
     2  C    0.887486
     3  C    1.015067
     4  O   -0.509693
     5  C   -4.389993
     6  C    0.237596
     7  C    0.906505
     8  C    1.423170
     9  H   -0.014216
    10  H   -0.128840
    11  C    1.674590
    12  C    1.539563
    13  C    1.193704
    14  H   -0.600853
    15  H   -0.072858
    16  H   -0.271406
    17  H    0.119376
    18  H    0.136249
    19  H    0.125653
    20  H   -0.176560
    21  H    0.226080
    22  H    0.263417
    23  H   -0.051009
    24  H    0.128555
    25  H    0.197876
    26  H   -0.213101
    27  H   -0.159988
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -3.486370
     2  C    0.744430
     3  C    1.015067
     4  O   -0.509693
     5  C   -4.389993
     6  C   -0.363257
     7  C    0.562241
     8  C    1.804448
    11  C    1.987526
    12  C    1.814985
    13  C    0.820616
 Electronic spatial extent (au):  <R**2>=           1533.4482
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.1315    Y=              2.7755    Z=              1.3650  Tot=              3.0958
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -66.0769   YY=            -74.5450   ZZ=            -68.7428
   XY=              0.1893   XZ=             -0.1640   YZ=             -3.5325
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              3.7113   YY=             -4.7568   ZZ=              1.0454
   XY=              0.1893   XZ=             -0.1640   YZ=             -3.5325
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -0.7406  YYY=             10.4734  ZZZ=             -2.5092  XYY=              0.9228
  XXY=             -0.7127  XXZ=             -0.6495  XZZ=              0.4028  YZZ=              0.7852
  YYZ=              8.5343  XYZ=              0.3682
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1016.6624 YYYY=           -674.4393 ZZZZ=           -424.5111 XXXY=              5.0223
 XXXZ=             -1.1222 YYYX=              3.2705 YYYZ=             -8.6584 ZZZX=             -0.6810
 ZZZY=             -0.3686 XXYY=           -270.4201 XXZZ=           -244.0390 YYZZ=           -183.4595
 XXYZ=              7.3180 YYXZ=              1.5919 ZZXY=             -2.3144
 N-N= 6.829745581411D+02 E-N=-2.443917900425D+03  KE= 4.599204794037D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul 22 20:25:53 2021, MaxMem= 17179869184 cpu:               2.0 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 4.82447321D-02 1.04099750D+00 5.10077616D-01
 Polarizability= 1.21387498D+02 3.37562485D-01 1.11184692D+02
                -3.60707790D-01 3.24921191D-01 1.02705121D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.2165    0.2169        0.1233    0.1203
 2     -0.2165   -0.2169       -0.3805   -0.3810       -4.6198   -4.6207
 3     -0.1233   -0.1203        9.1010    9.0970        0.3818    0.3810
 4      0.3805    0.3810       -0.0000    0.0000       -0.1198   -0.1203
 5     -4.4812   -4.4763        0.1198    0.1203        0.2186    0.2169
 6     -0.3818   -0.3810       -0.2186   -0.2169        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.6508   -0.6508        0.3610    0.3610
 2      1.1430    1.1430       -0.0000    0.0000        0.3610    0.3610
 3      1.1430    1.1430       -0.6508   -0.6508       -0.0000    0.0000
 4     -0.6508   -0.6508       -1.1430   -1.1430      -13.8621  -13.8621
 5     -0.3610   -0.3610       27.2911   27.2911        1.1430    1.1430
 6    -13.4290  -13.4290        0.3610    0.3610        0.6508    0.6508
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.6149    0.0000       -1.1851   -0.8678        0.3457   -0.4814
 2      0.5008    0.8678        0.8806    1.5239       18.7606   18.4828
 3      0.1667    0.4814      -36.3403  -36.3882       -1.5603   -1.5239
 4     -1.4893   -1.5239        0.1251    0.0000        0.7430    0.4814
 5     17.4244   17.9054       -0.2515   -0.4814       -0.8653   -0.8678
 6      1.5627    1.5239        1.0470    0.8678        0.0247    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.3983    0.0000        4.0695    4.2117        0.1873   -0.2037
 2     -3.5271   -4.2117       -7.4693   -7.4695        1.7912    3.2689
 3      0.3956    0.2037       -8.2321   -7.4408        8.4898    7.4695
 4      7.7585    7.4695        0.5472    0.0000       -0.2364    0.2037
 5      3.6146    4.1719        0.3332   -0.2037        4.1013    4.2117
 6     -8.0726   -7.4695       -4.1235   -4.2117       -0.0239    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     14.6720   14.4743        6.0357    6.5687       23.1512   22.4879
 2     22.2631   22.2422        8.5641    8.5781       22.8932   22.4879
 3     22.1058   22.2422        6.4327    6.5687       24.5907   24.4632
 4     -0.9606   -2.0094       -8.7484   -7.7679       -3.8616   -3.3485
 5      2.0155    1.9753        0.0043    1.0195        9.5454    7.7679
 6      2.1968    2.3290       -2.0044   -1.9753        1.8903    2.0094
 Full mass-weighted force constant matrix:
 Low frequencies ---  -10.4005   -0.0007   -0.0006   -0.0003    3.7544   15.3380
 Low frequencies ---   85.8825  183.8728  192.4763
 Diagonal vibrational polarizability:
        6.0533555       4.7483213       9.1681537
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     85.8818               183.8699               192.4735
 Red. masses --      3.9284                 1.5182                 1.1173
 Frc consts  --      0.0171                 0.0302                 0.0244
 IR Inten    --      2.3323                 1.0316                 0.0375
 RamAct Fr= 1--      0.2274                 0.4908                 0.0906
  Dep-P Fr= 1--      0.6442                 0.6781                 0.6352
  Dep-U Fr= 1--      0.7836                 0.8081                 0.7769
 Alpha2 Fr= 1--      0.0004                 0.0006                 0.0002
 Beta2  Fr= 1--      0.0297                 0.0661                 0.0117
 AlphaG Fr= 1--     -0.0029                 0.0011                 0.0024
 Gamma2 Fr= 1--      0.1855                 0.0889                -0.0720
 Delta2 Fr= 1--      0.0421                 0.0951                -0.0772
 Raman1 Fr= 1--       0.909                  1.963                  0.363
 ROA1   Fr= 1--      19.155                 11.580                 -9.387
 CID1   Fr= 1--      21.061                  5.898                -25.889
 Raman2 Fr= 1--       0.356                  0.793                  0.141
 ROA2   Fr= 1--       4.115                  1.373                 -1.111
 CID2   Fr= 1--      11.550                  1.730                 -7.891
 Raman3 Fr= 1--       0.713                  1.587                  0.282
 ROA3   Fr= 1--      19.155                 11.580                 -9.387
 CID3   Fr= 1--      26.878                  7.298                -33.325
 RC180  Fr= 1--       0.567                  0.616                  0.554
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01  -0.06    -0.00   0.01  -0.02     0.00   0.00  -0.01
     2   6    -0.09   0.05  -0.03     0.05   0.03   0.02     0.04   0.02   0.03
     3   6     0.00  -0.05   0.06    -0.01   0.01  -0.02    -0.00   0.00  -0.00
     4   8    -0.02  -0.15   0.25    -0.01  -0.06   0.11     0.00   0.01  -0.02
     5   6     0.01   0.00  -0.01    -0.01   0.02  -0.04    -0.00  -0.01   0.02
     6   6     0.01  -0.03   0.06    -0.00   0.02  -0.03     0.00  -0.01  -0.00
     7   6    -0.02   0.05   0.11     0.03   0.02  -0.01    -0.02  -0.01  -0.02
     8   6     0.05   0.07  -0.18    -0.02  -0.01  -0.00    -0.00  -0.01  -0.03
     9   1    -0.21   0.08  -0.03     0.10   0.07   0.00     0.13   0.05   0.02
    10   1    -0.07   0.03  -0.14     0.05   0.03   0.08     0.02   0.05   0.13
    11   6    -0.13   0.04  -0.09     0.06  -0.05  -0.03    -0.02   0.03   0.03
    12   6     0.14   0.05  -0.10    -0.07   0.03   0.02     0.00  -0.03   0.00
    13   6     0.03  -0.06  -0.00    -0.02  -0.00  -0.02    -0.00  -0.01  -0.00
    14   1     0.02  -0.09   0.12    -0.01   0.02  -0.03     0.00  -0.00  -0.00
    15   1     0.04  -0.01   0.18     0.01   0.02   0.01    -0.08   0.03  -0.06
    16   1    -0.05   0.16   0.18     0.06   0.03  -0.03    -0.03  -0.09  -0.05
    17   1     0.13   0.02  -0.22    -0.18  -0.22  -0.26    -0.15  -0.27  -0.34
    18   1     0.04   0.09  -0.19    -0.09  -0.09   0.35    -0.08  -0.09   0.37
    19   1     0.03   0.14  -0.22     0.20   0.26  -0.09     0.23   0.33  -0.15
    20   1    -0.24   0.10  -0.01     0.17  -0.29  -0.16    -0.10   0.27   0.14
    21   1    -0.06   0.02  -0.09    -0.11   0.06  -0.14     0.16  -0.08   0.15
    22   1    -0.17   0.05  -0.24     0.18   0.01   0.21    -0.14  -0.04  -0.17
    23   1     0.26  -0.03  -0.07    -0.18   0.30   0.08     0.05  -0.26  -0.08
    24   1     0.19   0.14  -0.20    -0.22  -0.20   0.14     0.14   0.16  -0.07
    25   1     0.08   0.09  -0.11     0.13  -0.02  -0.14    -0.18   0.00   0.16
    26   1     0.05  -0.13  -0.05    -0.03   0.00  -0.02    -0.01  -0.01  -0.00
    27   1     0.03  -0.09   0.03    -0.01  -0.01  -0.01     0.00  -0.01   0.00
                      4                      5                      6
                      A                      A                      A
 Frequencies --    201.9105               211.2997               230.9026
 Red. masses --      1.7345                 1.7310                 1.2160
 Frc consts  --      0.0417                 0.0455                 0.0382
 IR Inten    --      0.6718                 0.6538                 0.8343
 RamAct Fr= 1--      0.6685                 0.3163                 0.1723
  Dep-P Fr= 1--      0.7479                 0.7122                 0.6359
  Dep-U Fr= 1--      0.8557                 0.8319                 0.7774
 Alpha2 Fr= 1--      0.0000                 0.0002                 0.0004
 Beta2  Fr= 1--      0.0953                 0.0439                 0.0223
 AlphaG Fr= 1--     -0.0002                -0.0008                 0.0008
 Gamma2 Fr= 1--     -0.0646                 0.1189                -0.0033
 Delta2 Fr= 1--     -0.0936                -0.0065                -0.0635
 Raman1 Fr= 1--       2.674                  1.265                  0.689
 ROA1   Fr= 1--      -9.196                 11.210                 -2.353
 CID1   Fr= 1--      -3.439                  8.859                 -3.413
 Raman2 Fr= 1--       1.144                  0.526                  0.268
 ROA2   Fr= 1--      -0.802                  2.906                  0.428
 CID2   Fr= 1--      -0.701                  5.521                  1.596
 Raman3 Fr= 1--       2.288                  1.053                  0.536
 ROA3   Fr= 1--      -9.196                 11.210                 -2.353
 CID3   Fr= 1--      -4.019                 10.649                 -4.390
 RC180  Fr= 1--       0.711                  0.664                  0.555
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.01    -0.01  -0.03   0.02    -0.00  -0.00  -0.00
     2   6     0.00  -0.01  -0.02    -0.10  -0.10  -0.08    -0.04  -0.04  -0.05
     3   6     0.00  -0.00  -0.02     0.00  -0.04   0.01    -0.00   0.01   0.00
     4   8     0.01  -0.04   0.06    -0.00   0.01  -0.08    -0.03   0.02   0.01
     5   6     0.00   0.00  -0.02     0.01  -0.01   0.01     0.01   0.02   0.00
     6   6    -0.00  -0.01  -0.01     0.01  -0.01   0.02     0.01   0.02   0.01
     7   6    -0.02  -0.02  -0.04     0.01  -0.02   0.01     0.04   0.02   0.02
     8   6     0.00   0.01   0.06     0.07   0.09   0.08    -0.01  -0.00   0.04
     9   1     0.02  -0.02  -0.02    -0.29  -0.18  -0.03    -0.17  -0.08  -0.03
    10   1    -0.01   0.01  -0.01    -0.07  -0.13  -0.30    -0.01  -0.07  -0.18
    11   6     0.05  -0.12  -0.07    -0.03   0.03   0.01     0.03  -0.06  -0.03
    12   6    -0.05   0.16   0.05     0.03   0.05   0.01    -0.00   0.01   0.01
    13   6    -0.00   0.01  -0.02     0.01  -0.00   0.01     0.01   0.01  -0.00
    14   1    -0.01  -0.00  -0.02     0.01  -0.01   0.01     0.02   0.03   0.01
    15   1    -0.04   0.00  -0.06     0.11  -0.08   0.04     0.12  -0.04   0.06
    16   1    -0.03  -0.05  -0.04    -0.01   0.08   0.06     0.04   0.11   0.05
    17   1     0.01   0.09   0.14     0.03  -0.08  -0.12    -0.06  -0.03   0.01
    18   1     0.00   0.04  -0.00    -0.07   0.16   0.40    -0.03  -0.01   0.13
    19   1     0.00  -0.09   0.11     0.36   0.33   0.03     0.06   0.03   0.04
    20   1     0.05  -0.09  -0.06     0.03  -0.18  -0.07    -0.09   0.31   0.13
    21   1     0.18  -0.14  -0.12    -0.25   0.14  -0.06     0.45  -0.25   0.06
    22   1    -0.03  -0.24  -0.07     0.12   0.16   0.16    -0.24  -0.31  -0.33
    23   1    -0.01  -0.15  -0.07     0.07   0.03   0.02    -0.06   0.24   0.09
    24   1     0.26   0.51   0.09     0.08   0.10   0.01    -0.16  -0.19   0.08
    25   1    -0.47   0.31   0.23    -0.03   0.09  -0.01     0.20  -0.04  -0.13
    26   1     0.01   0.02  -0.01     0.02   0.01   0.02     0.02   0.02   0.00
    27   1     0.00   0.02  -0.03     0.02   0.00  -0.02     0.02   0.01  -0.01
                      7                      8                      9
                      A                      A                      A
 Frequencies --    261.9692               294.6577               301.5279
 Red. masses --      2.2925                 3.5742                 2.4436
 Frc consts  --      0.0927                 0.1828                 0.1309
 IR Inten    --      0.2854                 5.0270                 0.6846
 RamAct Fr= 1--      1.6419                 0.9225                 0.4478
  Dep-P Fr= 1--      0.4182                 0.6893                 0.7473
  Dep-U Fr= 1--      0.5898                 0.8161                 0.8554
 Alpha2 Fr= 1--      0.0114                 0.0010                 0.0000
 Beta2  Fr= 1--      0.1614                 0.1255                 0.0638
 AlphaG Fr= 1--     -0.0004                 0.0006                 0.0002
 Gamma2 Fr= 1--      0.3063                -0.2151                -0.8809
 Delta2 Fr= 1--      0.1553                 0.0694                -0.1692
 Raman1 Fr= 1--       6.568                  3.690                  1.791
 ROA1   Fr= 1--      34.376                -18.429                -89.980
 CID1   Fr= 1--       5.234                 -4.994                -50.229
 Raman2 Fr= 1--       1.937                  1.506                  0.766
 ROA2   Fr= 1--       6.109                 -5.717                -19.788
 CID2   Fr= 1--       3.155                 -3.797                -25.827
 Raman3 Fr= 1--       3.873                  3.011                  1.532
 ROA3   Fr= 1--      34.376                -18.429                -89.980
 CID3   Fr= 1--       8.875                 -6.120                -58.720
 RC180  Fr= 1--       0.180                  0.632                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.03  -0.04     0.02   0.02   0.05    -0.02   0.02  -0.09
     2   6     0.08   0.01   0.04    -0.03  -0.05  -0.04    -0.05   0.08  -0.05
     3   6    -0.01  -0.05  -0.06     0.07  -0.01   0.02     0.01  -0.02  -0.08
     4   8    -0.05  -0.07  -0.01     0.32  -0.02  -0.00     0.07  -0.07  -0.00
     5   6    -0.02  -0.01  -0.03    -0.02  -0.03  -0.01     0.01  -0.02  -0.06
     6   6     0.01  -0.04  -0.03    -0.02  -0.02  -0.02    -0.01  -0.03  -0.01
     7   6     0.05  -0.02   0.00    -0.00  -0.03  -0.02     0.01   0.10   0.11
     8   6     0.14   0.14   0.03    -0.05  -0.08  -0.07    -0.09  -0.05   0.11
     9   1     0.19   0.08   0.01    -0.13  -0.14   0.00    -0.19   0.16  -0.06
    10   1     0.07   0.01   0.18    -0.03  -0.04  -0.17    -0.03   0.05  -0.14
    11   6    -0.05   0.09   0.02    -0.14   0.09  -0.02     0.10   0.09   0.08
    12   6    -0.12   0.03   0.05    -0.12   0.10   0.09    -0.03  -0.03  -0.03
    13   6    -0.04  -0.10  -0.03    -0.01   0.02   0.03    -0.03  -0.07  -0.06
    14   1     0.02  -0.03  -0.03    -0.04  -0.02  -0.05    -0.04  -0.10   0.03
    15   1     0.00  -0.01   0.02     0.03  -0.06   0.00     0.09  -0.01   0.27
    16   1     0.07  -0.03  -0.02     0.01   0.01  -0.01     0.03   0.28   0.17
    17   1     0.32   0.24   0.18    -0.09  -0.15  -0.15    -0.28   0.05   0.19
    18   1     0.04   0.35  -0.10     0.03  -0.21  -0.07    -0.08  -0.10   0.19
    19   1     0.19   0.03   0.10    -0.17  -0.01  -0.13     0.02  -0.19   0.21
    20   1    -0.13   0.27   0.10    -0.25   0.17   0.08     0.18   0.22   0.06
    21   1     0.02   0.01   0.14    -0.14   0.06   0.06     0.05   0.04   0.26
    22   1    -0.10   0.10  -0.16    -0.14   0.16  -0.20     0.14   0.14   0.08
    23   1    -0.24   0.18   0.05    -0.25   0.34   0.13    -0.01  -0.18  -0.10
    24   1    -0.17  -0.09   0.21    -0.15  -0.03   0.33     0.08   0.09  -0.06
    25   1    -0.07   0.02  -0.01    -0.09   0.14  -0.06    -0.16  -0.01   0.08
    26   1    -0.09  -0.15  -0.09    -0.03   0.02   0.02    -0.00  -0.13  -0.12
    27   1    -0.03  -0.15   0.06    -0.06   0.05   0.05    -0.02  -0.10  -0.01
                     10                     11                     12
                      A                      A                      A
 Frequencies --    328.3508               373.0568               425.6878
 Red. masses --      2.3241                 2.1755                 2.9510
 Frc consts  --      0.1476                 0.1784                 0.3151
 IR Inten    --      0.1815                 0.3341                 0.7580
 RamAct Fr= 1--      0.1857                 0.2106                 1.5032
  Dep-P Fr= 1--      0.7135                 0.3918                 0.7123
  Dep-U Fr= 1--      0.8328                 0.5630                 0.8320
 Alpha2 Fr= 1--      0.0001                 0.0016                 0.0010
 Beta2  Fr= 1--      0.0258                 0.0198                 0.2084
 AlphaG Fr= 1--      0.0016                 0.0122                 0.0048
 Gamma2 Fr= 1--      0.2119                 0.1549                 0.2888
 Delta2 Fr= 1--     -0.0184                 0.0336                 0.1445
 Raman1 Fr= 1--       0.743                  0.843                  6.013
 ROA1   Fr= 1--      19.751                 15.944                 32.348
 CID1   Fr= 1--      26.595                 18.924                  5.380
 Raman2 Fr= 1--       0.309                  0.237                  2.501
 ROA2   Fr= 1--       5.232                  3.448                  5.776
 CID2   Fr= 1--      16.918                 14.536                  2.309
 Raman3 Fr= 1--       0.618                  0.474                  5.003
 ROA3   Fr= 1--      19.751                 15.944                 32.348
 CID3   Fr= 1--      31.933                 33.610                  6.466
 RC180  Fr= 1--       0.666                  0.126                  0.664
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.03   0.11    -0.04  -0.04   0.03    -0.05   0.04  -0.06
     2   6    -0.02  -0.09   0.05    -0.05  -0.01   0.05     0.10   0.03  -0.03
     3   6    -0.01  -0.00   0.02    -0.00  -0.05  -0.02    -0.04  -0.05   0.01
     4   8     0.02  -0.00   0.01     0.01  -0.05  -0.03     0.03  -0.03  -0.03
     5   6    -0.01   0.02  -0.07     0.01  -0.02  -0.03    -0.07  -0.11   0.11
     6   6    -0.04   0.04  -0.06    -0.04  -0.03  -0.01    -0.04   0.00  -0.09
     7   6     0.11   0.03   0.04    -0.12  -0.05  -0.04     0.14   0.04  -0.02
     8   6     0.01   0.05  -0.12    -0.01  -0.00  -0.01    -0.07   0.06  -0.02
     9   1    -0.13  -0.17   0.09     0.10   0.01   0.03     0.14   0.08  -0.05
    10   1     0.04  -0.19  -0.07    -0.08   0.04   0.19     0.14  -0.05   0.05
    11   6     0.13   0.01   0.02     0.12   0.05   0.09    -0.10  -0.12   0.15
    12   6    -0.05  -0.02  -0.05     0.11   0.16  -0.05     0.12   0.04   0.05
    13   6    -0.13   0.01   0.08    -0.03   0.00   0.01    -0.07   0.05  -0.07
    14   1    -0.10   0.06  -0.13    -0.08  -0.07  -0.02    -0.04   0.07  -0.15
    15   1     0.22  -0.07   0.15    -0.21   0.03  -0.15     0.19  -0.09   0.22
    16   1     0.20   0.18   0.02    -0.15  -0.18  -0.07     0.29   0.30  -0.05
    17   1     0.24  -0.05  -0.19     0.04  -0.02  -0.02    -0.06   0.08  -0.01
    18   1     0.02   0.09  -0.25    -0.02   0.02  -0.03    -0.09   0.09  -0.02
    19   1    -0.15   0.18  -0.22    -0.03   0.02  -0.03    -0.04   0.05  -0.01
    20   1     0.23   0.09  -0.02     0.22   0.25   0.07    -0.10  -0.14   0.15
    21   1     0.18  -0.04   0.10     0.17  -0.05   0.28    -0.09  -0.12   0.12
    22   1     0.11  -0.05   0.09     0.10   0.03   0.08    -0.12  -0.15   0.15
    23   1    -0.04  -0.18  -0.13     0.18   0.41   0.13     0.33   0.12   0.23
    24   1     0.05   0.11  -0.09     0.02   0.02   0.02     0.15   0.10  -0.01
    25   1    -0.19  -0.01   0.08     0.24   0.20  -0.35     0.08   0.14  -0.19
    26   1    -0.22   0.04   0.08    -0.01   0.05   0.06    -0.09   0.05  -0.08
    27   1    -0.14  -0.00   0.13    -0.03   0.02  -0.05    -0.08   0.05  -0.05
                     13                     14                     15
                      A                      A                      A
 Frequencies --    450.9906               512.4600               525.1648
 Red. masses --      2.0847                 3.1654                 3.2293
 Frc consts  --      0.2498                 0.4898                 0.5247
 IR Inten    --      0.5135                 2.4882                 2.2744
 RamAct Fr= 1--      1.1110                 0.9532                 1.4853
  Dep-P Fr= 1--      0.4896                 0.6749                 0.2701
  Dep-U Fr= 1--      0.6574                 0.8059                 0.4254
 Alpha2 Fr= 1--      0.0058                 0.0013                 0.0166
 Beta2  Fr= 1--      0.1217                 0.1280                 0.1053
 AlphaG Fr= 1--     -0.0172                 0.0028                 0.0317
 Gamma2 Fr= 1--     -0.1258                 0.0292                 0.0186
 Delta2 Fr= 1--     -0.0477                -0.0499                 0.1388
 Raman1 Fr= 1--       4.444                  3.813                  5.941
 ROA1   Fr= 1--     -13.601                  1.208                  6.225
 CID1   Fr= 1--      -3.061                  0.317                  1.048
 Raman2 Fr= 1--       1.461                  1.536                  1.264
 ROA2   Fr= 1--      -2.637                  1.101                 -0.665
 CID2   Fr= 1--      -1.805                  0.716                 -0.526
 Raman3 Fr= 1--       2.921                  3.073                  2.527
 ROA3   Fr= 1--     -13.601                  1.208                  6.225
 CID3   Fr= 1--      -4.656                  0.393                  2.463
 RC180  Fr= 1--       0.315                  0.612                 -0.149
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.05   0.04     0.02   0.00   0.04     0.19   0.07   0.02
     2   6    -0.01   0.01   0.08    -0.05   0.07  -0.00     0.05   0.04  -0.06
     3   6    -0.02  -0.09  -0.00     0.08  -0.09  -0.00     0.06   0.07   0.02
     4   8    -0.04  -0.07  -0.05    -0.10  -0.07  -0.05    -0.12   0.09   0.05
     5   6     0.01  -0.05  -0.05     0.18  -0.05   0.02    -0.04  -0.08  -0.04
     6   6    -0.02  -0.02  -0.01    -0.01   0.06  -0.08    -0.13  -0.12  -0.08
     7   6     0.01   0.05   0.09    -0.03   0.11  -0.05    -0.03  -0.07   0.04
     8   6     0.02  -0.02  -0.00     0.01  -0.04  -0.01     0.17  -0.12   0.01
     9   1     0.03   0.10   0.05    -0.09   0.04   0.01    -0.12  -0.05  -0.01
    10   1     0.01  -0.04   0.17    -0.04   0.06  -0.06     0.01   0.19  -0.30
    11   6    -0.02   0.01  -0.04     0.03   0.04  -0.09    -0.02  -0.01   0.06
    12   6    -0.05  -0.01  -0.01     0.11  -0.04   0.20    -0.03   0.03  -0.05
    13   6     0.11   0.18  -0.03    -0.13   0.03   0.04    -0.05   0.04   0.00
    14   1    -0.07  -0.09  -0.00    -0.14  -0.01  -0.14    -0.16  -0.11  -0.12
    15   1     0.02  -0.01   0.20    -0.04   0.11  -0.03    -0.04  -0.17   0.27
    16   1     0.08   0.15   0.06    -0.02   0.10  -0.06     0.07   0.14   0.03
    17   1     0.07  -0.05  -0.02    -0.05  -0.08  -0.05     0.04  -0.14  -0.04
    18   1     0.01  -0.00  -0.02     0.09  -0.16  -0.02     0.29  -0.30   0.01
    19   1     0.00   0.01  -0.02    -0.09  -0.03  -0.04     0.06  -0.12  -0.02
    20   1    -0.03   0.06  -0.02    -0.20  -0.06   0.03     0.03   0.09   0.05
    21   1    -0.04   0.00   0.01    -0.04   0.11  -0.19    -0.09  -0.04   0.20
    22   1    -0.01   0.06  -0.09     0.05   0.16  -0.27     0.03   0.07   0.05
    23   1    -0.09   0.01  -0.03    -0.03   0.02   0.13     0.01   0.11   0.02
    24   1    -0.01   0.00   0.08     0.18  -0.05   0.41     0.03   0.07   0.03
    25   1    -0.10   0.01   0.00     0.03  -0.00   0.21    -0.10   0.11  -0.16
    26   1     0.35   0.43   0.25    -0.36   0.00  -0.06     0.01  -0.01  -0.02
    27   1     0.12   0.38  -0.44    -0.13  -0.08   0.22    -0.27   0.22   0.10
                     16                     17                     18
                      A                      A                      A
 Frequencies --    600.0471               665.9029               724.8237
 Red. masses --      3.7208                 3.3856                 4.5367
 Frc consts  --      0.7893                 0.8845                 1.4043
 IR Inten    --      0.6131                 1.7742                 0.6350
 RamAct Fr= 1--     13.2843                11.4713                 3.1628
  Dep-P Fr= 1--      0.0439                 0.0663                 0.3251
  Dep-U Fr= 1--      0.0841                 0.1243                 0.4907
 Alpha2 Fr= 1--      0.2662                 0.2180                 0.0300
 Beta2  Fr= 1--      0.1863                 0.2376                 0.2587
 AlphaG Fr= 1--     -0.0314                -0.0711                -0.0074
 Gamma2 Fr= 1--      0.1511                -0.4815                -0.1635
 Delta2 Fr= 1--     -0.0707                 0.0381                 0.6483
 Raman1 Fr= 1--      53.137                 45.885                 12.651
 ROA1   Fr= 1--      12.240                -45.006                  5.051
 CID1   Fr= 1--       0.230                 -0.981                  0.399
 Raman2 Fr= 1--       2.235                  2.851                  3.104
 ROA2   Fr= 1--       4.191                -11.861                 -9.110
 CID2   Fr= 1--       1.875                 -4.160                 -2.935
 Raman3 Fr= 1--       4.470                  5.703                  6.208
 ROA3   Fr= 1--      12.240                -45.006                  5.051
 CID3   Fr= 1--       2.738                 -7.892                  0.814
 RC180  Fr= 1--      -0.832                 -0.751                 -0.019
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.13   0.01     0.06   0.13   0.10    -0.05  -0.06   0.07
     2   6    -0.08   0.05   0.04     0.04   0.11  -0.05    -0.09   0.04   0.05
     3   6    -0.00  -0.07   0.03    -0.01  -0.12  -0.01    -0.02   0.00   0.29
     4   8     0.06  -0.04  -0.04    -0.06  -0.12  -0.07    -0.01   0.18   0.04
     5   6    -0.10   0.09   0.05    -0.02  -0.07  -0.04     0.04  -0.15  -0.09
     6   6     0.01   0.17  -0.02     0.14   0.01   0.04     0.08  -0.08  -0.17
     7   6    -0.05   0.20  -0.04     0.05   0.07  -0.06    -0.01   0.16  -0.09
     8   6     0.22  -0.17   0.02    -0.06   0.06   0.01    -0.06   0.02   0.01
     9   1    -0.07   0.12   0.01    -0.19  -0.08   0.04     0.04   0.04   0.04
    10   1    -0.07   0.02   0.07     0.07   0.10  -0.35    -0.05  -0.07   0.21
    11   6    -0.06  -0.06   0.09    -0.05  -0.06   0.06     0.01  -0.03  -0.01
    12   6    -0.05   0.03  -0.06    -0.09   0.02  -0.12    -0.03  -0.02  -0.06
    13   6    -0.03  -0.02  -0.06     0.09   0.02   0.19     0.14  -0.14  -0.08
    14   1     0.11   0.16   0.10     0.09   0.02  -0.02     0.04  -0.23  -0.07
    15   1    -0.03   0.23  -0.13    -0.09   0.23  -0.26    -0.02   0.10   0.05
    16   1    -0.05   0.12  -0.08    -0.09  -0.20  -0.04     0.04   0.23  -0.11
    17   1     0.27  -0.17   0.03    -0.17   0.01  -0.06     0.02   0.01   0.02
    18   1     0.19  -0.12   0.02     0.10  -0.16  -0.01    -0.12   0.11   0.02
    19   1     0.26  -0.17   0.03    -0.24   0.08  -0.04    -0.02   0.05   0.01
    20   1     0.00  -0.14   0.03     0.01   0.01   0.04     0.02   0.04  -0.00
    21   1     0.06  -0.06  -0.04    -0.07  -0.09   0.17    -0.07  -0.05   0.11
    22   1    -0.14  -0.24   0.22    -0.03  -0.04   0.09     0.08   0.08  -0.06
    23   1     0.07  -0.04  -0.02    -0.08   0.07  -0.10    -0.11   0.18  -0.01
    24   1    -0.10   0.04  -0.24    -0.07   0.03  -0.07     0.14   0.04   0.30
    25   1     0.02  -0.00  -0.06    -0.12   0.06  -0.19    -0.26   0.16  -0.23
    26   1    -0.25   0.05  -0.06    -0.02  -0.08   0.07     0.01  -0.16  -0.13
    27   1     0.06  -0.15   0.03     0.05  -0.03   0.36     0.18  -0.23   0.00
                     19                     20                     21
                      A                      A                      A
 Frequencies --    789.0077               831.2801               839.0778
 Red. masses --      2.6637                 1.8084                 2.4409
 Frc consts  --      0.9770                 0.7363                 1.0125
 IR Inten    --      0.3440                 3.1922                 3.1840
 RamAct Fr= 1--      0.8798                 5.0534                 2.3092
  Dep-P Fr= 1--      0.7076                 0.0434                 0.2222
  Dep-U Fr= 1--      0.8288                 0.0833                 0.3636
 Alpha2 Fr= 1--      0.0006                 0.1014                 0.0296
 Beta2  Fr= 1--      0.1215                 0.0701                 0.1399
 AlphaG Fr= 1--      0.0015                -0.0574                 0.0239
 Gamma2 Fr= 1--      1.0369                -0.4627                -1.1882
 Delta2 Fr= 1--     -0.0629                -0.0663                -0.5041
 Raman1 Fr= 1--       3.519                 20.214                  9.237
 ROA1   Fr= 1--      97.525                -46.543               -130.200
 CID1   Fr= 1--      27.712                 -2.303                -14.096
 Raman2 Fr= 1--       1.458                  0.842                  1.679
 ROA2   Fr= 1--      25.388                -10.575                -24.485
 CID2   Fr= 1--      17.409                -12.566                -14.583
 Raman3 Fr= 1--       2.917                  1.683                  3.358
 ROA3   Fr= 1--      97.525                -46.543               -130.200
 CID3   Fr= 1--      33.437                -27.654                -38.772
 RC180  Fr= 1--       0.658                 -0.833                 -0.273
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.04  -0.02    -0.02  -0.02  -0.06     0.10   0.11   0.04
     2   6     0.03   0.04  -0.12    -0.05  -0.05  -0.08    -0.08  -0.13   0.14
     3   6    -0.03  -0.17   0.23     0.04   0.04  -0.03     0.10  -0.02  -0.06
     4   8     0.01  -0.02  -0.07    -0.01   0.01   0.02    -0.04  -0.04  -0.02
     5   6    -0.04   0.08   0.05     0.06  -0.08  -0.04     0.01   0.04   0.02
     6   6    -0.01  -0.02   0.01     0.02   0.09   0.08    -0.02   0.05  -0.03
     7   6    -0.03  -0.09   0.02    -0.02  -0.01  -0.01    -0.06  -0.01  -0.02
     8   6    -0.00   0.02  -0.00     0.02  -0.03  -0.02    -0.02   0.09   0.01
     9   1     0.36   0.16  -0.19     0.42   0.08  -0.17     0.14  -0.27   0.16
    10   1    -0.07   0.18   0.26    -0.14   0.05   0.42    -0.16   0.04   0.22
    11   6     0.06   0.08  -0.07    -0.01  -0.06   0.03    -0.02  -0.01   0.04
    12   6    -0.03   0.02  -0.01    -0.03  -0.01  -0.07    -0.02   0.02  -0.02
    13   6    -0.01   0.03   0.01    -0.01   0.07   0.10     0.07  -0.02  -0.13
    14   1     0.05   0.07  -0.02    -0.05   0.10  -0.00     0.10   0.01   0.11
    15   1     0.13  -0.25   0.21     0.30  -0.16  -0.01     0.22  -0.20   0.12
    16   1    -0.06   0.22   0.16    -0.11   0.25   0.16     0.09   0.28  -0.03
    17   1    -0.10   0.01  -0.02    -0.01   0.03   0.04    -0.30   0.05  -0.08
    18   1     0.06  -0.09   0.02    -0.04   0.04   0.04     0.22  -0.27  -0.00
    19   1    -0.05  -0.00  -0.00     0.15  -0.09   0.04    -0.30   0.06  -0.03
    20   1     0.16  -0.02  -0.16    -0.09   0.03   0.10    -0.07  -0.07   0.06
    21   1     0.24   0.07  -0.22    -0.17  -0.06   0.18    -0.01   0.01  -0.03
    22   1    -0.05  -0.16   0.11     0.08   0.14  -0.10    -0.05  -0.05   0.04
    23   1    -0.05  -0.02  -0.04    -0.09   0.07  -0.07    -0.02  -0.02  -0.04
    24   1    -0.09  -0.02  -0.08     0.06   0.01   0.11    -0.05   0.01  -0.09
    25   1     0.03  -0.04   0.07    -0.14   0.06  -0.11     0.01  -0.02   0.03
    26   1    -0.04  -0.10  -0.11    -0.12   0.01   0.01     0.00  -0.16  -0.27
    27   1    -0.13   0.04   0.20     0.08  -0.07   0.19     0.05  -0.10   0.06
                     22                     23                     24
                      A                      A                      A
 Frequencies --    847.1710               895.6939               899.6128
 Red. masses --      2.5453                 2.4307                 2.3177
 Frc consts  --      1.0763                 1.1490                 1.1051
 IR Inten    --      0.5954                 0.2383                 1.0447
 RamAct Fr= 1--      1.0384                 4.4995                 2.4926
  Dep-P Fr= 1--      0.7054                 0.1134                 0.6319
  Dep-U Fr= 1--      0.8273                 0.2036                 0.7744
 Alpha2 Fr= 1--      0.0008                 0.0762                 0.0053
 Beta2  Fr= 1--      0.1432                 0.1527                 0.3217
 AlphaG Fr= 1--     -0.0076                -0.0285                 0.0226
 Gamma2 Fr= 1--      0.2895                -0.0853                 0.0325
 Delta2 Fr= 1--      0.3613                -0.0964                -0.2238
 Raman1 Fr= 1--       4.154                 17.998                  9.970
 ROA1   Fr= 1--      39.357                -11.276                 -4.042
 CID1   Fr= 1--       9.475                 -0.626                 -0.405
 Raman2 Fr= 1--       1.718                  1.833                  3.861
 ROA2   Fr= 1--       4.058                 -1.276                  2.570
 CID2   Fr= 1--       2.362                 -0.696                  0.666
 Raman3 Fr= 1--       3.436                  3.665                  7.721
 ROA3   Fr= 1--      39.357                -11.276                 -4.042
 CID3   Fr= 1--      11.453                 -3.076                 -0.523
 RC180  Fr= 1--       0.655                 -0.593                  0.549
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.03  -0.11    -0.01   0.02   0.09     0.02   0.07  -0.10
     2   6     0.05  -0.08   0.04     0.12  -0.06  -0.12    -0.04  -0.04   0.09
     3   6     0.07  -0.07   0.14    -0.04   0.01  -0.03    -0.08  -0.01   0.01
     4   8    -0.02   0.03  -0.02     0.00  -0.01   0.00     0.01  -0.01  -0.01
     5   6     0.03  -0.06  -0.01    -0.06  -0.03  -0.01    -0.08  -0.03   0.01
     6   6    -0.06   0.10   0.14    -0.10  -0.00   0.15    -0.13   0.05   0.00
     7   6     0.06   0.01   0.09    -0.05   0.16  -0.07     0.03   0.03  -0.07
     8   6    -0.00   0.02  -0.03     0.01  -0.00   0.06     0.05  -0.01  -0.06
     9   1    -0.19   0.05   0.03     0.30  -0.24  -0.08    -0.07  -0.05   0.10
    10   1     0.14  -0.25  -0.10     0.11  -0.04  -0.01    -0.02  -0.06   0.01
    11   6     0.01  -0.01  -0.01     0.02   0.01  -0.07     0.03   0.04  -0.08
    12   6    -0.02  -0.01  -0.07     0.02  -0.03   0.05     0.01  -0.04   0.06
    13   6    -0.10   0.05  -0.13     0.00  -0.05  -0.04     0.10  -0.03   0.14
    14   1    -0.03   0.02   0.24    -0.04  -0.20   0.40    -0.29   0.08  -0.18
    15   1    -0.11   0.27  -0.31     0.12   0.09  -0.10     0.07   0.02  -0.08
    16   1     0.03  -0.47  -0.06    -0.07   0.26  -0.02     0.23   0.05  -0.22
    17   1    -0.16   0.07   0.00     0.21  -0.17  -0.09    -0.26   0.18   0.10
    18   1     0.03  -0.06   0.03     0.09  -0.04  -0.11     0.02  -0.06   0.15
    19   1     0.03  -0.07   0.02    -0.23   0.19  -0.09     0.30  -0.27   0.12
    20   1     0.02   0.04  -0.01     0.13   0.16  -0.10     0.16   0.12  -0.15
    21   1    -0.05  -0.02   0.08    -0.06  -0.03   0.12     0.04   0.00   0.01
    22   1     0.06   0.06  -0.02     0.09   0.10  -0.03     0.04   0.01   0.02
    23   1    -0.13   0.12  -0.07     0.12  -0.02   0.12     0.15   0.00   0.17
    24   1     0.08   0.01   0.18     0.04   0.02   0.02     0.07   0.03   0.03
    25   1    -0.18   0.10  -0.14    -0.01   0.01  -0.03    -0.03   0.04  -0.08
    26   1    -0.03  -0.06  -0.21     0.21  -0.12  -0.03     0.30  -0.21   0.04
    27   1    -0.10   0.01  -0.05    -0.04   0.01  -0.08     0.09  -0.03   0.17
                     25                     26                     27
                      A                      A                      A
 Frequencies --    939.9711               954.0769               965.2187
 Red. masses --      2.4617                 1.9587                 1.6054
 Frc consts  --      1.2815                 1.0505                 0.8812
 IR Inten    --     11.8573                 7.0058                 0.2782
 RamAct Fr= 1--      8.6596                 2.5670                 3.8303
  Dep-P Fr= 1--      0.3814                 0.7472                 0.6166
  Dep-U Fr= 1--      0.5522                 0.8553                 0.7628
 Alpha2 Fr= 1--      0.0685                 0.0001                 0.0094
 Beta2  Fr= 1--      0.7970                 0.3659                 0.4870
 AlphaG Fr= 1--      0.0256                -0.0029                 0.0190
 Gamma2 Fr= 1--     -0.7741                 0.1029                -0.2882
 Delta2 Fr= 1--     -0.1175                -0.6688                -0.2530
 Raman1 Fr= 1--      34.638                 10.268                 15.321
 ROA1   Fr= 1--     -78.075                -11.522                -35.767
 CID1   Fr= 1--      -2.254                 -1.122                 -2.334
 Raman2 Fr= 1--       9.564                  4.391                  5.844
 ROA2   Fr= 1--     -17.639                  7.821                 -4.894
 CID2   Fr= 1--      -1.844                  1.781                 -0.837
 Raman3 Fr= 1--      19.129                  8.782                 11.688
 ROA3   Fr= 1--     -78.075                -11.522                -35.767
 CID3   Fr= 1--      -4.082                 -1.312                 -3.060
 RC180  Fr= 1--       0.104                  0.711                  0.526
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.05  -0.02    -0.02  -0.03   0.05    -0.00   0.01   0.02
     2   6     0.02   0.01  -0.06    -0.01   0.11  -0.03    -0.08   0.04  -0.00
     3   6     0.17  -0.03   0.04     0.06  -0.01  -0.00    -0.01   0.00  -0.00
     4   8    -0.02   0.00  -0.01    -0.01  -0.01  -0.00     0.00   0.01   0.00
     5   6     0.10   0.10   0.01    -0.01  -0.03   0.02    -0.03   0.02  -0.09
     6   6    -0.15  -0.05   0.01    -0.10   0.14   0.02     0.02  -0.00   0.02
     7   6     0.02   0.07  -0.06     0.03  -0.13   0.01     0.08  -0.04  -0.02
     8   6    -0.04   0.02  -0.02    -0.02  -0.01   0.06     0.03   0.01   0.02
     9   1     0.06   0.03  -0.07    -0.12   0.16  -0.03     0.03   0.13  -0.04
    10   1     0.07  -0.12   0.04    -0.05   0.21  -0.11    -0.11   0.07   0.13
    11   6    -0.04  -0.02   0.10     0.02   0.00  -0.02    -0.10  -0.03  -0.03
    12   6     0.00   0.07  -0.06    -0.02  -0.03  -0.01     0.11   0.00   0.04
    13   6    -0.01  -0.10   0.09     0.05  -0.06  -0.03    -0.03  -0.02  -0.02
    14   1    -0.32  -0.10  -0.10    -0.09   0.39  -0.19     0.07   0.06   0.01
    15   1     0.00   0.07  -0.05     0.03  -0.14   0.04     0.14  -0.01  -0.13
    16   1     0.08   0.04  -0.12     0.14  -0.05  -0.05     0.03  -0.08   0.01
    17   1    -0.09   0.07   0.02     0.22  -0.17  -0.08    -0.04  -0.03  -0.04
    18   1    -0.08   0.05   0.03     0.03   0.01  -0.12     0.13  -0.12  -0.01
    19   1     0.02  -0.03   0.02    -0.23   0.20  -0.08    -0.10   0.01  -0.01
    20   1    -0.13  -0.16   0.12    -0.03   0.02   0.02     0.34   0.23  -0.24
    21   1     0.05   0.03  -0.11    -0.05   0.01   0.01    -0.06  -0.19   0.33
    22   1    -0.12  -0.12   0.09     0.06   0.08  -0.08    -0.03  -0.09   0.32
    23   1    -0.26  -0.02  -0.28     0.08   0.06   0.10    -0.23   0.00  -0.18
    24   1    -0.12  -0.07  -0.04     0.08   0.06   0.04     0.08  -0.12   0.28
    25   1     0.10  -0.09   0.24    -0.13   0.09  -0.19     0.06  -0.07   0.30
    26   1     0.39  -0.04   0.27     0.16  -0.06   0.01     0.10  -0.00   0.04
    27   1     0.02   0.05  -0.28     0.35  -0.27  -0.20    -0.07   0.06  -0.10
                     28                     29                     30
                      A                      A                      A
 Frequencies --    969.3696              1008.7267              1018.8189
 Red. masses --      1.8796                 1.5249                 1.4529
 Frc consts  --      1.0406                 0.9142                 0.8885
 IR Inten    --      4.7787                 9.9982                 3.7344
 RamAct Fr= 1--      2.9867                 2.0668                 0.8899
  Dep-P Fr= 1--      0.1786                 0.7363                 0.7486
  Dep-U Fr= 1--      0.3031                 0.8481                 0.8562
 Alpha2 Fr= 1--      0.0429                 0.0005                 0.0000
 Beta2  Fr= 1--      0.1509                 0.2921                 0.1270
 AlphaG Fr= 1--     -0.0122                 0.0152                -0.0010
 Gamma2 Fr= 1--      1.2989                -0.6831                -1.6552
 Delta2 Fr= 1--      0.3875                -0.3227                -0.7152
 Raman1 Fr= 1--      11.947                  8.267                  3.560
 ROA1   Fr= 1--     137.096                -75.900               -181.784
 CID1   Fr= 1--      11.476                 -9.181                -51.070
 Raman2 Fr= 1--       1.811                  3.506                  1.524
 ROA2   Fr= 1--      28.074                -13.812                -34.003
 CID2   Fr= 1--      15.505                 -3.940                -22.313
 Raman3 Fr= 1--       3.621                  7.011                  3.048
 ROA3   Fr= 1--     137.096                -75.900               -181.784
 CID3   Fr= 1--      37.858                -10.825                -59.646
 RC180  Fr= 1--      -0.394                  0.696                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.01     0.03  -0.02  -0.01    -0.01   0.02   0.00
     2   6     0.12  -0.06  -0.01     0.06  -0.01   0.01    -0.02  -0.06  -0.06
     3   6    -0.05  -0.01   0.01     0.09  -0.00  -0.01    -0.05   0.03  -0.04
     4   8     0.01  -0.01  -0.01    -0.02   0.00   0.00     0.01   0.00   0.01
     5   6     0.03   0.03  -0.05    -0.04  -0.02   0.01     0.00   0.01  -0.03
     6   6    -0.05   0.07  -0.05     0.04   0.04  -0.02     0.01   0.01  -0.06
     7   6    -0.12   0.00   0.08    -0.07   0.01   0.01     0.02   0.03   0.09
     8   6    -0.03  -0.03   0.00    -0.03   0.02  -0.04     0.04   0.02   0.04
     9   1    -0.05  -0.12   0.03     0.03  -0.25   0.08     0.14   0.10  -0.13
    10   1     0.13  -0.03  -0.19     0.03   0.09  -0.14    -0.01  -0.13   0.20
    11   6    -0.05  -0.02   0.02    -0.04   0.06  -0.02    -0.01   0.05   0.05
    12   6     0.07   0.02  -0.01     0.01  -0.07  -0.00     0.01  -0.06   0.00
    13   6     0.10   0.05   0.00    -0.05  -0.06   0.04     0.01  -0.02   0.02
    14   1    -0.22   0.05  -0.20     0.21   0.13   0.07    -0.20  -0.00  -0.25
    15   1    -0.22  -0.01   0.22    -0.01  -0.06   0.09    -0.06   0.18  -0.15
    16   1    -0.07   0.04   0.05    -0.14   0.15   0.11    -0.22  -0.22   0.19
    17   1     0.18  -0.04   0.02    -0.15   0.13   0.05    -0.02  -0.08  -0.08
    18   1    -0.14   0.16  -0.04    -0.08   0.05   0.06     0.21  -0.18  -0.04
    19   1     0.06   0.07  -0.02     0.10  -0.10   0.04    -0.19   0.07  -0.03
    20   1     0.11   0.05  -0.06     0.19   0.02  -0.18    -0.06  -0.19   0.03
    21   1    -0.01  -0.08   0.12     0.16  -0.01  -0.04     0.19   0.10  -0.27
    22   1    -0.05  -0.08   0.16    -0.13  -0.20   0.25    -0.17  -0.19   0.08
    23   1    -0.25   0.02  -0.21     0.02   0.12   0.09     0.05   0.09   0.10
    24   1     0.04  -0.10   0.21     0.17   0.04   0.22     0.15   0.04   0.17
    25   1     0.04  -0.06   0.24    -0.21   0.11  -0.19    -0.14   0.09  -0.18
    26   1    -0.12  -0.14  -0.23    -0.09   0.26   0.29     0.21  -0.13  -0.02
    27   1     0.22  -0.21   0.30     0.08  -0.02  -0.26    -0.03   0.04  -0.03
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1033.2111              1042.2857              1092.8148
 Red. masses --      1.8459                 1.5506                 1.3313
 Frc consts  --      1.1610                 0.9925                 0.9368
 IR Inten    --     24.7410                10.7653                 1.1453
 RamAct Fr= 1--      1.6861                 0.7503                 2.8149
  Dep-P Fr= 1--      0.6767                 0.7038                 0.6747
  Dep-U Fr= 1--      0.8072                 0.8262                 0.8058
 Alpha2 Fr= 1--      0.0022                 0.0006                 0.0037
 Beta2  Fr= 1--      0.2268                 0.1033                 0.3780
 AlphaG Fr= 1--     -0.0147                 0.0019                 0.0073
 Gamma2 Fr= 1--      0.0382                -0.0555                 3.8305
 Delta2 Fr= 1--      0.0108                 0.1660                 0.8878
 Raman1 Fr= 1--       6.744                  3.001                 11.259
 ROA1   Fr= 1--       4.018                 -0.018                396.133
 CID1   Fr= 1--       0.596                 -0.006                 35.182
 Raman2 Fr= 1--       2.722                  1.240                  4.536
 ROA2   Fr= 1--       0.831                 -2.661                 84.829
 CID2   Fr= 1--       0.305                 -2.146                 18.700
 Raman3 Fr= 1--       5.444                  2.480                  9.072
 ROA3   Fr= 1--       4.018                 -0.018                396.133
 CID3   Fr= 1--       0.738                 -0.007                 43.663
 RC180  Fr= 1--       0.614                  0.652                  0.612
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.04   0.00     0.02  -0.01   0.01    -0.05  -0.04  -0.02
     2   6    -0.01  -0.05  -0.05    -0.05   0.01   0.01     0.01   0.01  -0.02
     3   6     0.17  -0.01   0.01     0.10   0.01  -0.05     0.00   0.03  -0.03
     4   8    -0.03   0.02   0.01    -0.02  -0.01   0.00     0.00   0.01   0.01
     5   6    -0.07  -0.02  -0.03    -0.02  -0.01   0.01     0.00  -0.04   0.05
     6   6     0.01  -0.00  -0.07    -0.03  -0.05   0.03    -0.01  -0.05   0.04
     7   6    -0.00   0.04   0.07     0.04  -0.00  -0.03    -0.01  -0.01  -0.03
     8   6    -0.03   0.03  -0.00    -0.07  -0.06   0.01     0.06   0.06   0.02
     9   1     0.05   0.17  -0.13    -0.05   0.16  -0.03    -0.09   0.17  -0.06
    10   1     0.07  -0.26   0.17    -0.05  -0.00   0.07     0.12  -0.25   0.03
    11   6    -0.03  -0.02  -0.06    -0.03   0.07   0.01    -0.01   0.04  -0.01
    12   6    -0.05   0.03   0.10    -0.00  -0.04  -0.01    -0.00   0.01  -0.03
    13   6     0.02   0.02   0.03     0.05   0.08  -0.01     0.01   0.05   0.02
    14   1    -0.02   0.08  -0.17     0.02  -0.17   0.19    -0.09  -0.20   0.10
    15   1    -0.18   0.15  -0.00     0.08   0.00  -0.08    -0.12  -0.04   0.15
    16   1    -0.11  -0.16   0.09     0.17  -0.04  -0.15     0.22   0.04  -0.21
    17   1    -0.07   0.03  -0.01     0.30  -0.08   0.04    -0.19  -0.01  -0.09
    18   1    -0.02   0.01   0.00    -0.27   0.29  -0.07     0.27  -0.26   0.01
    19   1    -0.06   0.02  -0.01     0.09   0.12  -0.04    -0.19  -0.03   0.00
    20   1     0.17   0.20  -0.14     0.12  -0.07  -0.12     0.08  -0.02  -0.08
    21   1    -0.12  -0.12   0.25     0.21   0.04  -0.15     0.11   0.02  -0.05
    22   1     0.07   0.06   0.07    -0.17  -0.23   0.23    -0.06  -0.09   0.10
    23   1     0.30  -0.17   0.21     0.02   0.06   0.06    -0.07   0.02  -0.06
    24   1    -0.19   0.06  -0.40     0.08   0.03   0.09    -0.01  -0.02   0.03
    25   1     0.20  -0.06  -0.00    -0.11   0.06  -0.12    -0.02  -0.01   0.02
    26   1    -0.06  -0.01  -0.03    -0.04  -0.15  -0.23    -0.35   0.18   0.02
    27   1     0.10  -0.08   0.09    -0.14   0.09   0.33     0.36  -0.30   0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1126.7422              1135.1649              1178.2441
 Red. masses --      1.2131                 2.0022                 2.0162
 Frc consts  --      0.9074                 1.5201                 1.6491
 IR Inten    --      4.5107                 2.0199                 1.7198
 RamAct Fr= 1--      4.9658                 4.7185                 2.9633
  Dep-P Fr= 1--      0.6625                 0.6576                 0.7474
  Dep-U Fr= 1--      0.7970                 0.7934                 0.8554
 Alpha2 Fr= 1--      0.0077                 0.0078                 0.0001
 Beta2  Fr= 1--      0.6596                 0.6240                 0.4225
 AlphaG Fr= 1--     -0.0156                -0.0524                -0.0018
 Gamma2 Fr= 1--     -1.7521                 0.5337                -0.9931
 Delta2 Fr= 1--     -0.3289                 0.7384                -0.9315
 Raman1 Fr= 1--      19.863                 18.874                 11.853
 ROA1   Fr= 1--    -178.722                 74.862               -125.149
 CID1   Fr= 1--      -8.998                  3.966                -10.558
 Raman2 Fr= 1--       7.915                  7.487                  5.070
 ROA2   Fr= 1--     -39.418                  6.902                -16.384
 CID2   Fr= 1--      -4.980                  0.922                 -3.232
 Raman3 Fr= 1--      15.831                 14.975                 10.140
 ROA3   Fr= 1--    -178.722                 74.862               -125.149
 CID3   Fr= 1--     -11.290                  4.999                -12.343
 RC180  Fr= 1--       0.594                  0.587                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.04   0.02    -0.04   0.07  -0.11    -0.10   0.03   0.19
     2   6    -0.00  -0.01  -0.03    -0.01  -0.02   0.08    -0.02   0.08  -0.04
     3   6     0.01   0.01  -0.02     0.04   0.00  -0.01     0.04   0.02  -0.04
     4   8     0.00  -0.01  -0.00    -0.01   0.01   0.00    -0.01  -0.01   0.00
     5   6    -0.03   0.06   0.03     0.01  -0.08   0.13    -0.02  -0.06   0.03
     6   6    -0.02   0.01  -0.02     0.09  -0.04   0.02    -0.04  -0.03   0.03
     7   6    -0.03   0.00  -0.01    -0.02   0.04  -0.06     0.06  -0.01  -0.01
     8   6     0.00   0.02  -0.00     0.01  -0.05   0.07     0.04  -0.02  -0.10
     9   1    -0.08   0.25  -0.10    -0.08  -0.06   0.09     0.13  -0.30   0.07
    10   1     0.13  -0.32   0.10     0.09  -0.23   0.01     0.14  -0.27   0.08
    11   6     0.02  -0.03  -0.00     0.00   0.03  -0.05     0.01   0.03  -0.00
    12   6     0.03  -0.04  -0.03    -0.01   0.04  -0.05     0.02   0.02  -0.02
    13   6     0.03  -0.02   0.03    -0.08   0.02   0.03     0.00   0.04  -0.09
    14   1     0.40   0.28   0.14     0.06   0.34  -0.37     0.04   0.22  -0.13
    15   1    -0.28   0.00   0.25    -0.08  -0.03   0.17    -0.11   0.03   0.06
    16   1     0.12   0.04  -0.13    -0.16   0.15   0.10    -0.26  -0.03   0.24
    17   1    -0.08   0.03  -0.01     0.28  -0.21  -0.07    -0.15   0.20   0.12
    18   1     0.04  -0.05   0.03     0.05   0.02  -0.16    -0.05  -0.04   0.22
    19   1    -0.05  -0.02   0.01    -0.11   0.17  -0.07     0.30  -0.29   0.10
    20   1    -0.06   0.04   0.07     0.12   0.08  -0.11    -0.00  -0.04  -0.01
    21   1    -0.11  -0.01   0.05     0.05  -0.02   0.02     0.06   0.04  -0.08
    22   1     0.09   0.11  -0.10     0.02  -0.00   0.06    -0.03  -0.03  -0.01
    23   1    -0.08   0.10  -0.03    -0.13  -0.01  -0.15    -0.08  -0.01  -0.09
    24   1     0.13  -0.00   0.19    -0.09  -0.05  -0.03    -0.03  -0.05   0.03
    25   1    -0.13   0.05  -0.04     0.00  -0.02   0.07     0.01  -0.01   0.07
    26   1     0.10  -0.08  -0.00     0.34  -0.22  -0.05     0.10  -0.19  -0.25
    27   1    -0.29   0.23   0.15    -0.01   0.02  -0.11     0.10  -0.11   0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1193.6032              1221.8600              1239.7966
 Red. masses --      2.4492                 2.0342                 1.9144
 Frc consts  --      2.0559                 1.7894                 1.7337
 IR Inten    --      2.0483                 0.2558                 2.0314
 RamAct Fr= 1--      2.7517                 1.4546                 2.7578
  Dep-P Fr= 1--      0.7463                 0.6217                 0.7098
  Dep-U Fr= 1--      0.8547                 0.7667                 0.8303
 Alpha2 Fr= 1--      0.0002                 0.0034                 0.0019
 Beta2  Fr= 1--      0.3920                 0.1859                 0.3816
 AlphaG Fr= 1--     -0.0014                 0.0082                -0.0030
 Gamma2 Fr= 1--     -1.6612                -0.1080                 2.4497
 Delta2 Fr= 1--     -1.1303                -0.2908                 1.2670
 Raman1 Fr= 1--      11.007                  5.818                 11.031
 ROA1   Fr= 1--    -195.649                -19.671                275.713
 CID1   Fr= 1--     -17.775                 -3.381                 24.994
 Raman2 Fr= 1--       4.704                  2.231                  4.580
 ROA2   Fr= 1--     -30.827                 -0.266                 48.656
 CID2   Fr= 1--      -6.553                 -0.119                 10.625
 Raman3 Fr= 1--       9.408                  4.461                  9.159
 ROA3   Fr= 1--    -195.649                -19.671                275.713
 CID3   Fr= 1--     -20.796                 -4.409                 30.103
 RC180  Fr= 1--       0.709                  0.533                  0.661
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.03   0.03    -0.06   0.19  -0.03    -0.03   0.08  -0.01
     2   6    -0.05  -0.06  -0.06    -0.03  -0.02  -0.03    -0.06   0.00  -0.03
     3   6    -0.02   0.02  -0.05     0.04  -0.02   0.03     0.00  -0.01   0.01
     4   8     0.00  -0.01   0.00    -0.01  -0.00  -0.01     0.00  -0.02  -0.01
     5   6    -0.08  -0.11   0.20    -0.07  -0.04  -0.14     0.07   0.18   0.08
     6   6    -0.06   0.01  -0.09     0.00   0.01  -0.03     0.01  -0.08   0.01
     7   6     0.05   0.06   0.10    -0.01  -0.01   0.04     0.06   0.02   0.02
     8   6    -0.03  -0.01  -0.00     0.02  -0.07   0.02     0.00  -0.04   0.00
     9   1     0.22  -0.05  -0.10     0.12  -0.11  -0.02     0.25  -0.38   0.05
    10   1    -0.23   0.32   0.10     0.01  -0.14   0.12    -0.09   0.06   0.09
    11   6     0.05   0.02  -0.06     0.03   0.01   0.05    -0.03  -0.06  -0.04
    12   6     0.04   0.06  -0.08     0.03   0.02   0.04    -0.03  -0.08  -0.02
    13   6     0.04  -0.05   0.00    -0.03  -0.01   0.05    -0.01   0.01  -0.01
    14   1     0.10   0.02   0.06     0.40   0.04   0.32    -0.16  -0.14  -0.10
    15   1    -0.06   0.22  -0.14    -0.17   0.02   0.13    -0.32   0.11   0.20
    16   1     0.12  -0.26  -0.07     0.26  -0.08  -0.21     0.12  -0.15  -0.09
    17   1     0.03   0.02   0.04     0.25  -0.09   0.03     0.12  -0.04   0.02
    18   1    -0.09   0.09  -0.01    -0.02   0.03  -0.07    -0.02   0.03  -0.03
    19   1     0.02   0.05  -0.02     0.15   0.04  -0.01     0.09   0.01  -0.00
    20   1     0.04   0.06  -0.04    -0.14  -0.17   0.11     0.04   0.20  -0.02
    21   1     0.01   0.03  -0.02     0.02   0.09  -0.14    -0.13  -0.12   0.21
    22   1     0.08   0.08  -0.09    -0.07  -0.05  -0.11     0.12   0.11   0.08
    23   1    -0.28   0.01  -0.30     0.01  -0.07  -0.02     0.06   0.16   0.15
    24   1    -0.07  -0.14   0.12    -0.03  -0.04   0.01     0.16   0.12   0.05
    25   1    -0.01  -0.04   0.23     0.10  -0.04   0.12    -0.18   0.08  -0.23
    26   1    -0.25   0.25   0.18     0.02   0.04   0.10    -0.13   0.07  -0.00
    27   1     0.01  -0.01  -0.02     0.30  -0.20  -0.18     0.17  -0.13  -0.09
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1248.7210              1267.9215              1277.1305
 Red. masses --      2.2572                 1.5165                 1.4907
 Frc consts  --      2.0737                 1.4365                 1.4326
 IR Inten    --      3.3796                 0.8630                 1.0654
 RamAct Fr= 1--      2.6311                 4.5587                 3.3914
  Dep-P Fr= 1--      0.7485                 0.7481                 0.6996
  Dep-U Fr= 1--      0.8561                 0.8559                 0.8232
 Alpha2 Fr= 1--      0.0001                 0.0001                 0.0030
 Beta2  Fr= 1--      0.3754                 0.6503                 0.4653
 AlphaG Fr= 1--     -0.0004                -0.0005                -0.0103
 Gamma2 Fr= 1--     -0.2837                 1.9567                -0.7069
 Delta2 Fr= 1--     -0.2092                 0.6762                 0.1564
 Raman1 Fr= 1--      10.524                 18.235                 13.566
 ROA1   Fr= 1--     -33.932                209.483                -62.862
 CID1   Fr= 1--      -3.224                 11.488                 -4.634
 Raman2 Fr= 1--       4.505                  7.804                  5.584
 ROA2   Fr= 1--      -5.136                 41.551                -18.217
 CID2   Fr= 1--      -1.140                  5.325                 -3.262
 Raman3 Fr= 1--       9.010                 15.607                 11.168
 ROA3   Fr= 1--     -33.932                209.483                -62.862
 CID3   Fr= 1--      -3.766                 13.422                 -5.629
 RC180  Fr= 1--       0.712                  0.712                  0.646
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.05   0.09     0.04  -0.10   0.02    -0.03   0.06   0.06
     2   6     0.00  -0.04  -0.05     0.00  -0.07  -0.00     0.05  -0.05   0.02
     3   6    -0.07   0.02  -0.02    -0.00   0.00   0.00     0.02  -0.00  -0.01
     4   8     0.01  -0.00   0.00     0.00   0.01   0.00    -0.00  -0.01  -0.01
     5   6     0.21  -0.10   0.03    -0.04  -0.00  -0.04    -0.02   0.05   0.08
     6   6     0.04   0.11  -0.01     0.03  -0.05   0.04     0.02   0.01  -0.10
     7   6    -0.04  -0.02   0.03     0.03   0.05  -0.02    -0.02  -0.02  -0.01
     8   6     0.01  -0.01  -0.04    -0.01   0.03  -0.02     0.01  -0.02  -0.03
     9   1     0.02   0.15  -0.11     0.05   0.06  -0.05    -0.24   0.47  -0.11
    10   1    -0.06   0.07   0.06    -0.27   0.55  -0.11     0.01   0.03  -0.03
    11   6    -0.08   0.03  -0.02     0.01   0.01   0.02     0.01  -0.03  -0.03
    12   6    -0.08   0.03   0.01     0.01  -0.00   0.01     0.01  -0.02  -0.02
    13   6    -0.03  -0.06  -0.02    -0.08   0.08   0.01    -0.06   0.03   0.03
    14   1    -0.00  -0.06   0.10     0.10   0.15  -0.08     0.01  -0.39   0.26
    15   1    -0.23  -0.02   0.22    -0.31   0.10   0.23     0.23  -0.08  -0.15
    16   1     0.37  -0.03  -0.31     0.15  -0.02  -0.15    -0.15   0.03   0.12
    17   1    -0.00   0.07   0.06    -0.14   0.06  -0.01     0.03   0.05   0.05
    18   1    -0.03  -0.01   0.08    -0.02   0.01   0.04    -0.02  -0.01   0.06
    19   1     0.12  -0.08   0.03    -0.04  -0.05   0.01     0.11  -0.05   0.01
    20   1     0.20   0.02  -0.19    -0.03  -0.04   0.03     0.00   0.10   0.01
    21   1     0.16  -0.10   0.07     0.00   0.04  -0.07    -0.08  -0.03   0.06
    22   1    -0.08  -0.10   0.23    -0.02  -0.01  -0.05     0.07   0.07  -0.01
    23   1     0.09  -0.10   0.04     0.01  -0.00   0.01    -0.05   0.07  -0.01
    24   1    -0.12   0.07  -0.25     0.01  -0.01   0.04     0.04   0.00   0.05
    25   1     0.12  -0.03  -0.11     0.01  -0.01   0.03    -0.08   0.03  -0.03
    26   1     0.23  -0.09   0.03     0.30  -0.27  -0.16     0.26  -0.20  -0.07
    27   1    -0.21   0.15  -0.10     0.21  -0.18  -0.04     0.27  -0.20  -0.15
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1294.5379              1322.4258              1346.6182
 Red. masses --      1.8556                 1.6719                 1.5730
 Frc consts  --      1.8322                 1.7227                 1.6806
 IR Inten    --      3.2010                 5.2231                 2.3917
 RamAct Fr= 1--      4.1132                 1.0578                 1.9879
  Dep-P Fr= 1--      0.7216                 0.7045                 0.7485
  Dep-U Fr= 1--      0.8383                 0.8266                 0.8561
 Alpha2 Fr= 1--      0.0020                 0.0008                 0.0001
 Beta2  Fr= 1--      0.5747                 0.1457                 0.2836
 AlphaG Fr= 1--     -0.0103                -0.0037                -0.0006
 Gamma2 Fr= 1--      3.3906                -0.9747                 0.6337
 Delta2 Fr= 1--      1.7294                -0.6938                 0.3057
 Raman1 Fr= 1--      16.453                  4.231                  7.951
 ROA1   Fr= 1--     380.834               -115.768                 70.620
 CID1   Fr= 1--      23.147                -27.362                  8.881
 Raman2 Fr= 1--       6.896                  1.749                  3.404
 ROA2   Fr= 1--      67.539                -17.842                 12.764
 CID2   Fr= 1--       9.794                -10.203                  3.750
 Raman3 Fr= 1--      13.792                  3.497                  6.808
 ROA3   Fr= 1--     380.834               -115.768                 70.620
 CID3   Fr= 1--      27.613                -33.101                 10.374
 RC180  Fr= 1--       0.677                  0.653                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.15   0.09   0.08    -0.03  -0.02   0.03    -0.04   0.03   0.02
     2   6    -0.02  -0.06  -0.00     0.01   0.05  -0.04     0.04  -0.04   0.01
     3   6    -0.04  -0.00  -0.00     0.04  -0.00  -0.00    -0.02  -0.00   0.00
     4   8     0.00  -0.01  -0.01    -0.01   0.00   0.00     0.00  -0.00  -0.00
     5   6    -0.04   0.01  -0.03    -0.09   0.02   0.02     0.09   0.03  -0.01
     6   6     0.05  -0.02   0.12     0.12  -0.00   0.02    -0.08  -0.14   0.01
     7   6    -0.01   0.01  -0.06    -0.12   0.00   0.10    -0.05   0.05   0.05
     8   6    -0.04  -0.04  -0.03     0.01   0.01  -0.02     0.01  -0.00  -0.01
     9   1    -0.12   0.49  -0.16     0.06  -0.17   0.02    -0.08   0.20  -0.05
    10   1     0.06  -0.23   0.12     0.06  -0.09   0.02    -0.03   0.13  -0.06
    11   6     0.02   0.00   0.01     0.03  -0.01  -0.01    -0.03  -0.00   0.01
    12   6     0.02  -0.01   0.00     0.03  -0.01  -0.01    -0.03  -0.01  -0.01
    13   6    -0.02  -0.05  -0.06    -0.03   0.00  -0.02     0.02   0.01  -0.01
    14   1    -0.32   0.12  -0.38    -0.25  -0.06  -0.30     0.38   0.54  -0.18
    15   1    -0.10  -0.03   0.13     0.33  -0.05  -0.26     0.38   0.04  -0.37
    16   1    -0.02   0.10  -0.02     0.52  -0.01  -0.44     0.08  -0.01  -0.09
    17   1     0.04   0.11   0.13    -0.02   0.02   0.00     0.02   0.02   0.02
    18   1    -0.17   0.14   0.03     0.00  -0.02   0.05     0.03  -0.04   0.03
    19   1     0.12   0.08  -0.04     0.01  -0.06   0.02     0.04  -0.03   0.01
    20   1    -0.06  -0.04   0.04    -0.06   0.02   0.05     0.06   0.03  -0.04
    21   1    -0.02   0.03  -0.01    -0.09   0.02   0.01     0.09  -0.04  -0.01
    22   1    -0.02  -0.02  -0.04     0.02   0.01  -0.05     0.03   0.05   0.06
    23   1    -0.00   0.02   0.01    -0.05   0.05  -0.02     0.07   0.01   0.07
    24   1     0.02  -0.02   0.04     0.01  -0.04   0.05     0.05   0.08  -0.00
    25   1    -0.03   0.00   0.02    -0.08   0.02   0.04     0.06  -0.04  -0.03
    26   1    -0.21   0.23   0.11     0.13  -0.12  -0.08    -0.17   0.06  -0.02
    27   1     0.08  -0.09  -0.16    -0.09   0.07  -0.03     0.12  -0.09  -0.02
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1361.0100              1398.6106              1418.2562
 Red. masses --      2.2085                 1.2098                 1.2782
 Frc consts  --      2.4103                 1.3943                 1.5148
 IR Inten    --      2.0251                 5.0837                 4.6160
 RamAct Fr= 1--      2.3943                 0.6184                 0.3207
  Dep-P Fr= 1--      0.6822                 0.3644                 0.0400
  Dep-U Fr= 1--      0.8111                 0.5342                 0.0770
 Alpha2 Fr= 1--      0.0029                 0.0052                 0.0065
 Beta2  Fr= 1--      0.3237                 0.0551                 0.0041
 AlphaG Fr= 1--     -0.0094                -0.0155                -0.0024
 Gamma2 Fr= 1--      0.5931                 0.3059                -0.0499
 Delta2 Fr= 1--      0.0833                 0.0490                -0.0218
 Raman1 Fr= 1--       9.577                  2.474                  1.283
 ROA1   Fr= 1--      59.608                 30.937                 -5.486
 CID1   Fr= 1--       6.224                 12.507                 -4.277
 Raman2 Fr= 1--       3.884                  0.661                  0.049
 ROA2   Fr= 1--      13.569                  6.951                 -1.023
 CID2   Fr= 1--       3.494                 10.521                -20.717
 Raman3 Fr= 1--       7.768                  1.321                  0.099
 ROA3   Fr= 1--      59.608                 30.937                 -5.486
 CID3   Fr= 1--       7.674                 23.414                -55.579
 RC180  Fr= 1--       0.622                  0.068                 -0.846
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.22  -0.07  -0.00     0.01  -0.01   0.00     0.03  -0.02   0.00
     2   6    -0.07   0.10  -0.02    -0.00   0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.11   0.02  -0.00    -0.01   0.00  -0.00    -0.00  -0.00  -0.01
     4   8     0.02  -0.01  -0.00     0.00   0.00   0.00     0.00   0.01   0.00
     5   6     0.05  -0.01   0.01     0.01  -0.00   0.01    -0.00  -0.00  -0.00
     6   6    -0.04  -0.01  -0.04    -0.01   0.00  -0.01    -0.00   0.00   0.01
     7   6    -0.03  -0.01   0.03     0.00  -0.00   0.00     0.00   0.00  -0.00
     8   6    -0.05   0.01   0.00    -0.00   0.00   0.00    -0.13   0.08  -0.01
     9   1     0.17  -0.25   0.06     0.02  -0.01   0.00    -0.02   0.01  -0.00
    10   1     0.21  -0.52   0.10     0.01  -0.03  -0.01    -0.01  -0.00   0.02
    11   6    -0.03  -0.01   0.01     0.06   0.04  -0.07     0.00   0.00  -0.00
    12   6    -0.02   0.00  -0.01    -0.06   0.02  -0.07     0.00   0.00   0.00
    13   6    -0.09   0.06   0.03    -0.00   0.00   0.01    -0.00   0.00  -0.00
    14   1     0.22   0.03   0.16     0.02  -0.00   0.02    -0.01   0.01  -0.01
    15   1     0.15  -0.03  -0.13    -0.01   0.02  -0.04    -0.01   0.00   0.01
    16   1     0.05  -0.03  -0.04    -0.00   0.02   0.02    -0.01   0.00   0.00
    17   1    -0.05   0.05   0.04    -0.01   0.00   0.00     0.50  -0.14  -0.12
    18   1    -0.10   0.11  -0.04    -0.00   0.01  -0.00     0.31  -0.48  -0.09
    19   1    -0.03   0.11  -0.04    -0.01   0.01  -0.00     0.50  -0.20   0.25
    20   1     0.11   0.05  -0.07    -0.32  -0.17   0.14    -0.01  -0.01   0.00
    21   1     0.10  -0.01  -0.09    -0.23  -0.05   0.38    -0.01  -0.00   0.02
    22   1     0.04   0.09  -0.03    -0.13  -0.33   0.23    -0.01  -0.02   0.00
    23   1     0.04  -0.02   0.02     0.31  -0.01   0.17    -0.01  -0.00  -0.01
    24   1     0.03   0.04   0.02     0.16   0.08   0.35    -0.01  -0.01  -0.01
    25   1     0.06  -0.03  -0.01     0.23  -0.23   0.24    -0.01   0.01  -0.01
    26   1     0.25  -0.12  -0.01     0.01  -0.04  -0.03    -0.01   0.00  -0.00
    27   1     0.30  -0.27  -0.06     0.01   0.01  -0.04    -0.00   0.00  -0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1422.2132              1483.1445              1489.0081
 Red. masses --      1.2232                 1.0503                 1.0552
 Frc consts  --      1.4578                 1.3612                 1.3784
 IR Inten    --     11.0903                 1.5530                 1.9932
 RamAct Fr= 1--      0.3648                 1.9203                 3.2663
  Dep-P Fr= 1--      0.5894                 0.7498                 0.7500
  Dep-U Fr= 1--      0.7417                 0.8570                 0.8571
 Alpha2 Fr= 1--      0.0011                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0451                 0.2743                 0.4666
 AlphaG Fr= 1--      0.0006                -0.0010                -0.0001
 Gamma2 Fr= 1--      0.3023                -1.6308                 1.3452
 Delta2 Fr= 1--     -0.0113                -0.7849                 0.5254
 Raman1 Fr= 1--       1.459                  7.681                 13.065
 ROA1   Fr= 1--      28.661               -181.677                145.955
 CID1   Fr= 1--      19.640                -23.652                 11.171
 Raman2 Fr= 1--       0.541                  3.291                  5.599
 ROA2   Fr= 1--       7.346                -32.861                 28.082
 CID2   Fr= 1--      13.574                 -9.984                  5.015
 Raman3 Fr= 1--       1.082                  6.583                 11.199
 ROA3   Fr= 1--      28.661               -181.677                145.955
 CID3   Fr= 1--      26.481                -27.598                 13.033
 RC180  Fr= 1--       0.483                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.00    -0.00   0.00  -0.00     0.00   0.01  -0.01
     2   6     0.00  -0.01   0.00     0.01   0.00  -0.01    -0.02  -0.00   0.02
     3   6     0.03   0.01   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     4   8    -0.00  -0.01  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   6    -0.03  -0.00   0.00    -0.00  -0.00   0.01     0.00   0.00   0.00
     6   6     0.02   0.02   0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   6     0.00  -0.01  -0.00    -0.00   0.00  -0.00    -0.01   0.03  -0.01
     8   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01   0.02  -0.03
     9   1    -0.02   0.01  -0.00    -0.11  -0.04   0.02     0.21   0.08  -0.04
    10   1    -0.01   0.03   0.01    -0.02   0.03   0.11     0.03  -0.05  -0.21
    11   6    -0.05  -0.04   0.06     0.02   0.01   0.03     0.01  -0.01   0.00
    12   6    -0.06   0.02  -0.07    -0.02  -0.03   0.02    -0.01   0.01   0.02
    13   6     0.00  -0.01  -0.01    -0.01  -0.00  -0.02    -0.00  -0.00  -0.01
    14   1    -0.09  -0.07  -0.02     0.00   0.00  -0.01    -0.00   0.00   0.00
    15   1    -0.06   0.02   0.01     0.02  -0.01   0.00     0.14  -0.14   0.18
    16   1     0.01   0.04   0.01    -0.01  -0.01   0.00    -0.06  -0.25  -0.05
    17   1     0.03  -0.01  -0.01    -0.01   0.01   0.01     0.30  -0.03  -0.01
    18   1     0.01  -0.02   0.01     0.01  -0.00  -0.01    -0.11  -0.04   0.43
    19   1     0.02  -0.02   0.02     0.01   0.01  -0.00    -0.31  -0.21   0.02
    20   1     0.28   0.15  -0.12     0.27  -0.12  -0.18     0.03   0.20   0.03
    21   1     0.21   0.04  -0.33    -0.28   0.08   0.11    -0.18   0.11  -0.12
    22   1     0.13   0.31  -0.20    -0.25  -0.18  -0.37    -0.06  -0.11   0.03
    23   1     0.32  -0.01   0.18    -0.28   0.24  -0.04    -0.02  -0.26  -0.14
    24   1     0.18   0.09   0.39     0.27   0.38  -0.17     0.05   0.02   0.16
    25   1     0.25  -0.25   0.27     0.27  -0.15  -0.01     0.17   0.01  -0.25
    26   1     0.01   0.03   0.03     0.09   0.08   0.09     0.02   0.05   0.04
    27   1    -0.05   0.02   0.04    -0.01  -0.07   0.13    -0.00  -0.03   0.05
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1490.0830              1495.3768              1501.0864
 Red. masses --      1.0540                 1.0526                 1.0710
 Frc consts  --      1.3789                 1.3868                 1.4218
 IR Inten    --      3.7831                 5.8276                 7.9858
 RamAct Fr= 1--      7.1106                 3.4693                 3.4487
  Dep-P Fr= 1--      0.7500                 0.7220                 0.7375
  Dep-U Fr= 1--      0.8571                 0.8385                 0.8489
 Alpha2 Fr= 1--      0.0000                 0.0017                 0.0007
 Beta2  Fr= 1--      1.0158                 0.4849                 0.4879
 AlphaG Fr= 1--      0.0001                 0.0034                -0.0020
 Gamma2 Fr= 1--     -2.0516                 1.9258                -1.1663
 Delta2 Fr= 1--     -0.5433                 1.7429                -1.0163
 Raman1 Fr= 1--      28.442                 13.877                 13.795
 ROA1   Fr= 1--    -214.340                240.649               -144.483
 CID1   Fr= 1--      -7.536                 17.341                -10.474
 Raman2 Fr= 1--      12.190                  5.818                  5.855
 ROA2   Fr= 1--     -44.892                 32.276                -19.860
 CID2   Fr= 1--      -3.683                  5.547                 -3.392
 Raman3 Fr= 1--      24.379                 11.637                 11.710
 ROA3   Fr= 1--    -214.340                240.649               -144.483
 CID3   Fr= 1--      -8.792                 20.680                -12.338
 RC180  Fr= 1--       0.714                  0.677                  0.698
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.02    -0.01  -0.02  -0.02     0.02   0.02  -0.00
     2   6    -0.00  -0.00   0.00     0.02   0.00  -0.02     0.03  -0.00  -0.03
     3   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.01   0.00  -0.00
     4   8     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     5   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.02   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00
     7   6     0.01  -0.02   0.01     0.00  -0.00  -0.00     0.01  -0.02   0.00
     8   6     0.00   0.01  -0.03    -0.02  -0.03  -0.02     0.01   0.02  -0.00
     9   1     0.01  -0.02   0.01    -0.24  -0.13   0.06    -0.39  -0.13   0.07
    10   1    -0.00  -0.01   0.00    -0.04   0.07   0.24    -0.05   0.07   0.40
    11   6    -0.02   0.02   0.00     0.01  -0.01  -0.00     0.01  -0.01   0.00
    12   6     0.01  -0.02  -0.01    -0.00   0.01   0.00     0.01   0.01  -0.01
    13   6     0.00   0.00   0.02    -0.00   0.00  -0.00    -0.02  -0.00  -0.03
    14   1     0.01  -0.01   0.01     0.01   0.01   0.00     0.03   0.02  -0.01
    15   1    -0.11   0.10  -0.12    -0.03   0.03  -0.02    -0.09   0.10  -0.13
    16   1     0.03   0.17   0.04     0.01   0.04   0.01     0.04   0.18   0.04
    17   1     0.35   0.06   0.10     0.14   0.38   0.44     0.05  -0.19  -0.21
    18   1    -0.09  -0.10   0.49     0.13  -0.31   0.16    -0.11   0.14   0.10
    19   1    -0.33  -0.11  -0.03     0.01   0.44  -0.23    -0.14  -0.29   0.11
    20   1     0.01  -0.27  -0.08    -0.04   0.16   0.06     0.03   0.19   0.03
    21   1     0.18  -0.13   0.17    -0.07   0.07  -0.11    -0.19   0.11  -0.10
    22   1     0.03   0.12  -0.11     0.00  -0.05   0.10    -0.07  -0.13   0.04
    23   1     0.00   0.26   0.13     0.01  -0.11  -0.04     0.14  -0.06   0.05
    24   1    -0.04   0.01  -0.17    -0.01  -0.03   0.06    -0.14  -0.17   0.04
    25   1    -0.15  -0.02   0.24     0.04   0.02  -0.08    -0.16   0.07   0.04
    26   1    -0.07  -0.06  -0.06     0.04   0.02   0.03     0.14   0.14   0.15
    27   1     0.01   0.05  -0.11    -0.01  -0.02   0.07     0.02  -0.13   0.20
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1502.1899              1509.7741              1515.6307
 Red. masses --      1.0642                 1.0733                 1.0705
 Frc consts  --      1.4149                 1.4414                 1.4489
 IR Inten    --      0.9166                10.5588                 9.8984
 RamAct Fr= 1--      8.1622                 4.5430                 2.6662
  Dep-P Fr= 1--      0.7305                 0.6688                 0.7269
  Dep-U Fr= 1--      0.8443                 0.8015                 0.8419
 Alpha2 Fr= 1--      0.0027                 0.0066                 0.0011
 Beta2  Fr= 1--      1.1485                 0.6069                 0.3741
 AlphaG Fr= 1--      0.0096                 0.0188                 0.0041
 Gamma2 Fr= 1--      1.3019                 1.0217                -1.7616
 Delta2 Fr= 1--      0.5269                -0.1088                -0.6407
 Raman1 Fr= 1--      32.649                 18.172                 10.665
 ROA1   Fr= 1--     141.839                 94.603               -189.618
 CID1   Fr= 1--       4.344                  5.206                -17.780
 Raman2 Fr= 1--      13.782                  7.283                  4.489
 ROA2   Fr= 1--      27.030                 25.391                -37.153
 CID2   Fr= 1--       1.961                  3.487                 -8.276
 Raman3 Fr= 1--      27.565                 14.565                  8.978
 ROA3   Fr= 1--     141.839                 94.603               -189.618
 CID3   Fr= 1--       5.146                  6.495                -21.119
 RC180  Fr= 1--       0.689                  0.603                  0.684
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.00  -0.00     0.00  -0.00   0.00    -0.02   0.00  -0.00
     2   6     0.01   0.00  -0.02    -0.02  -0.00   0.02    -0.01  -0.00   0.02
     3   6    -0.00   0.00   0.00    -0.01  -0.00  -0.00     0.00  -0.01  -0.00
     4   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.01   0.00
     5   6    -0.03  -0.02  -0.01     0.02  -0.02  -0.00     0.01  -0.02  -0.01
     6   6     0.00   0.01   0.01    -0.00   0.00   0.00     0.00   0.00  -0.00
     7   6     0.01  -0.01  -0.00     0.01  -0.04   0.01    -0.00   0.01  -0.00
     8   6     0.00   0.01   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     9   1    -0.18  -0.07   0.04     0.22   0.08  -0.04     0.19   0.07  -0.04
    10   1    -0.02   0.03   0.20     0.03  -0.05  -0.22     0.02  -0.03  -0.20
    11   6    -0.00  -0.01  -0.03     0.02  -0.03   0.01     0.00  -0.01  -0.02
    12   6    -0.01  -0.02   0.03     0.00  -0.01  -0.00     0.01  -0.02  -0.01
    13   6     0.01  -0.00   0.02     0.01   0.00   0.03    -0.02  -0.00  -0.05
    14   1    -0.01  -0.00   0.00     0.01   0.00   0.01     0.01   0.01   0.00
    15   1    -0.06   0.04  -0.04    -0.19   0.18  -0.23     0.05  -0.05   0.06
    16   1     0.01   0.09   0.02     0.08   0.33   0.07    -0.03  -0.10  -0.02
    17   1     0.02  -0.09  -0.10    -0.01   0.01   0.02     0.02   0.03   0.04
    18   1    -0.05   0.07   0.04     0.01  -0.01  -0.02     0.02  -0.04   0.01
    19   1    -0.07  -0.13   0.05     0.02   0.03  -0.01     0.02   0.04  -0.02
    20   1    -0.26   0.16   0.19     0.11   0.38   0.03    -0.17   0.21   0.15
    21   1     0.21  -0.03  -0.15    -0.33   0.22  -0.25     0.02   0.04  -0.15
    22   1     0.21   0.13   0.35    -0.12  -0.22   0.03     0.09  -0.01   0.26
    23   1    -0.29   0.08  -0.12    -0.01   0.11   0.05    -0.03   0.38   0.17
    24   1     0.25   0.33  -0.10    -0.02   0.02  -0.10     0.01   0.09  -0.24
    25   1     0.32  -0.12  -0.12    -0.05  -0.02   0.09    -0.11  -0.07   0.31
    26   1    -0.10  -0.08  -0.08    -0.19  -0.14  -0.17     0.26   0.22   0.24
    27   1     0.01   0.07  -0.14     0.01   0.13  -0.25    -0.03  -0.18   0.37
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1533.0671              1811.5935              3034.1187
 Red. masses --      1.0897                12.3153                 1.0356
 Frc consts  --      1.5090                23.8131                 5.6172
 IR Inten    --      6.7608               201.4254                26.9812
 RamAct Fr= 1--      7.5072                13.3142               122.9145
  Dep-P Fr= 1--      0.7497                 0.5177                 0.0157
  Dep-U Fr= 1--      0.8569                 0.6822                 0.0309
 Alpha2 Fr= 1--      0.0000                 0.0604                 2.6330
 Beta2  Fr= 1--      1.0722                 1.5138                 0.6325
 AlphaG Fr= 1--      0.0015                 0.0213                -0.1529
 Gamma2 Fr= 1--      0.3716                -0.3562                -0.0002
 Delta2 Fr= 1--     -0.2050                 1.5613                 0.0338
 Raman1 Fr= 1--      30.029                 53.257                491.658
 ROA1   Fr= 1--      29.111                 15.769                  1.063
 CID1   Fr= 1--       0.969                  0.296                  0.002
 Raman2 Fr= 1--      12.866                 18.166                  7.590
 ROA2   Fr= 1--      10.558                -21.038                 -0.275
 CID2   Fr= 1--       0.821                 -1.158                 -0.036
 Raman3 Fr= 1--      25.732                 36.331                 15.180
 ROA3   Fr= 1--      29.111                 15.769                  1.063
 CID3   Fr= 1--       1.131                  0.434                  0.070
 RC180  Fr= 1--       0.714                  0.364                 -0.938
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01  -0.00    -0.01  -0.03  -0.02     0.00  -0.00  -0.00
     2   6    -0.02  -0.01   0.02    -0.00  -0.02   0.01     0.01   0.00  -0.00
     3   6     0.01  -0.00  -0.00     0.05   0.71   0.38     0.00   0.00   0.00
     4   8    -0.00   0.00   0.00    -0.03  -0.46  -0.25     0.00  -0.00  -0.00
     5   6    -0.01   0.02   0.01    -0.01  -0.04  -0.02    -0.00  -0.00  -0.00
     6   6     0.01  -0.01  -0.00     0.01  -0.02  -0.01    -0.00   0.00   0.00
     7   6     0.01  -0.05   0.02     0.00   0.00   0.00    -0.00  -0.00  -0.00
     8   6     0.00  -0.00  -0.00    -0.00   0.01   0.00    -0.04   0.02  -0.01
     9   1     0.20   0.08  -0.04     0.03   0.05  -0.01     0.01   0.02   0.05
    10   1     0.02  -0.03  -0.22    -0.02   0.03  -0.07    -0.07  -0.03  -0.01
    11   6    -0.01   0.01  -0.01     0.01   0.01  -0.01     0.00   0.00  -0.00
    12   6    -0.01   0.01   0.02     0.01   0.00   0.01    -0.00   0.00  -0.00
    13   6    -0.01   0.00  -0.04    -0.00  -0.02  -0.02     0.00   0.00   0.00
    14   1    -0.01  -0.02  -0.02     0.01  -0.03  -0.03    -0.00   0.00  -0.00
    15   1    -0.24   0.24  -0.31    -0.00   0.01  -0.02     0.01   0.02   0.01
    16   1     0.12   0.44   0.09    -0.00   0.01   0.01    -0.01   0.00  -0.01
    17   1     0.01   0.01   0.02     0.04   0.03   0.01    -0.08  -0.40   0.37
    18   1     0.01  -0.02  -0.00     0.07  -0.10  -0.01     0.51   0.36   0.17
    19   1     0.01   0.01  -0.01     0.03   0.04   0.02     0.08  -0.21  -0.45
    20   1    -0.05  -0.15  -0.01    -0.03   0.01   0.01     0.01  -0.00   0.02
    21   1     0.11  -0.09   0.11    -0.06   0.03   0.03    -0.01  -0.02  -0.01
    22   1     0.05   0.08  -0.01    -0.04  -0.09   0.04    -0.02   0.02   0.01
    23   1    -0.08  -0.24  -0.16    -0.04   0.03   0.01    -0.02  -0.01   0.03
    24   1     0.05   0.02   0.12    -0.05  -0.02  -0.10     0.05  -0.04  -0.02
    25   1     0.15   0.03  -0.26    -0.04   0.04   0.02     0.02   0.03   0.01
    26   1     0.20   0.16   0.18     0.01   0.03   0.03     0.01   0.03  -0.03
    27   1    -0.01  -0.15   0.28    -0.03  -0.02   0.01    -0.04  -0.04  -0.02
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3034.8600              3038.9537              3048.8986
 Red. masses --      1.0371                 1.0381                 1.0611
 Frc consts  --      5.6277                 5.6486                 5.8113
 IR Inten    --     16.4192                30.2370                29.7630
 RamAct Fr= 1--      6.1638               275.1383                72.5001
  Dep-P Fr= 1--      0.6071                 0.0296                 0.2440
  Dep-U Fr= 1--      0.7555                 0.0576                 0.3923
 Alpha2 Fr= 1--      0.0162                 5.7034                 0.8738
 Beta2  Fr= 1--      0.7761                 2.6404                 4.7401
 AlphaG Fr= 1--     -0.0284                -0.3720                -0.3464
 Gamma2 Fr= 1--     -0.6901                 2.0168                 3.9385
 Delta2 Fr= 1--     -0.4721                 0.1981                -4.1500
 Raman1 Fr= 1--      24.655               1100.553                290.000
 ROA1   Fr= 1--     -81.360                199.949                245.292
 CID1   Fr= 1--      -3.300                  0.182                  0.846
 Raman2 Fr= 1--       9.313                 31.685                 56.881
 ROA2   Fr= 1--     -12.787                 46.818                127.723
 CID2   Fr= 1--      -1.373                  1.478                  2.245
 Raman3 Fr= 1--      18.627                 63.371                113.762
 ROA3   Fr= 1--     -81.360                199.949                245.292
 CID3   Fr= 1--      -4.368                  3.155                  2.156
 RC180  Fr= 1--       0.511                 -0.885                 -0.215
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     2   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.05  -0.01   0.04
     3   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     4   8    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01   0.03   0.00
     8   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   1     0.00   0.00   0.00     0.00   0.00   0.01    -0.08  -0.16  -0.49
    10   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.68   0.32   0.08
    11   6    -0.03  -0.01   0.02    -0.02  -0.01   0.02    -0.00   0.00  -0.00
    12   6     0.03  -0.01   0.01    -0.03   0.02  -0.02    -0.00   0.00   0.00
    13   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.01     0.00   0.00   0.00
    14   1    -0.01   0.01   0.01    -0.02   0.02   0.02    -0.03   0.03   0.03
    15   1    -0.01  -0.01  -0.01     0.01   0.02   0.01    -0.14  -0.28  -0.13
    16   1     0.02  -0.01   0.02    -0.02   0.01  -0.03     0.08  -0.03   0.10
    17   1    -0.01  -0.04   0.03     0.00   0.02  -0.01    -0.01  -0.05   0.04
    18   1     0.05   0.03   0.02    -0.02  -0.01  -0.01     0.04   0.03   0.01
    19   1     0.01  -0.02  -0.04    -0.00   0.01   0.02     0.01  -0.02  -0.04
    20   1    -0.20   0.07  -0.30    -0.16   0.05  -0.24     0.00  -0.00   0.00
    21   1     0.12   0.34   0.15     0.09   0.26   0.11     0.00   0.00   0.00
    22   1     0.45  -0.33  -0.14     0.34  -0.25  -0.11     0.01  -0.01  -0.00
    23   1     0.14   0.10  -0.19    -0.18  -0.13   0.26    -0.00  -0.00   0.00
    24   1    -0.33   0.30   0.13     0.43  -0.38  -0.16     0.02  -0.02  -0.01
    25   1    -0.12  -0.25  -0.09     0.15   0.32   0.11     0.01   0.01   0.01
    26   1    -0.01  -0.04   0.04    -0.02  -0.04   0.05     0.01   0.03  -0.03
    27   1     0.02   0.02   0.01     0.04   0.05   0.02    -0.03  -0.03  -0.01
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3055.5550              3061.7970              3084.8753
 Red. masses --      1.0620                 1.0691                 1.0961
 Frc consts  --      5.8416                 5.9050                 6.1455
 IR Inten    --     27.6999                35.1386                13.8919
 RamAct Fr= 1--     91.2952               218.1233               120.4004
  Dep-P Fr= 1--      0.1418                 0.0959                 0.2827
  Dep-U Fr= 1--      0.2484                 0.1751                 0.4408
 Alpha2 Fr= 1--      1.4409                 3.8572                 1.2995
 Beta2  Fr= 1--      3.7794                 6.3643                 8.8463
 AlphaG Fr= 1--      1.1408                -0.1589                 1.0778
 Gamma2 Fr= 1--     15.5967               -15.6951                16.7885
 Delta2 Fr= 1--      7.2783                -5.0864                 7.1713
 Raman1 Fr= 1--     365.181                872.493                481.602
 ROA1   Fr= 1--    1730.187              -1669.490               1841.177
 CID1   Fr= 1--       4.738                 -1.913                  3.823
 Raman2 Fr= 1--      45.352                 76.371                106.155
 ROA2   Fr= 1--     316.094               -335.990                345.554
 CID2   Fr= 1--       6.970                 -4.399                  3.255
 Raman3 Fr= 1--      90.705                152.743                212.311
 ROA3   Fr= 1--    1730.187              -1669.490               1841.177
 CID3   Fr= 1--      19.075                -10.930                  8.672
 RC180  Fr= 1--      -0.503                 -0.650                 -0.118
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     2   6     0.00  -0.00  -0.00    -0.01   0.00   0.03    -0.03  -0.03  -0.04
     3   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     4   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     5   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00   0.01    -0.01   0.01   0.01    -0.04   0.03   0.04
     7   6     0.00   0.02   0.00    -0.01  -0.06  -0.01     0.01   0.01   0.02
     8   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     9   1     0.01   0.02   0.05    -0.05  -0.11  -0.34     0.06   0.15   0.49
    10   1    -0.02  -0.01  -0.00     0.16   0.08   0.02     0.32   0.15   0.02
    11   6     0.01  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    12   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    13   6    -0.03  -0.02  -0.05    -0.01  -0.00  -0.01     0.01   0.01   0.01
    14   1     0.06  -0.06  -0.07     0.17  -0.16  -0.17     0.42  -0.40  -0.43
    15   1    -0.11  -0.22  -0.11     0.32   0.65   0.31    -0.05  -0.11  -0.05
    16   1     0.05  -0.01   0.06    -0.16   0.05  -0.19    -0.12   0.05  -0.14
    17   1    -0.01  -0.03   0.03    -0.00  -0.02   0.01    -0.00  -0.02   0.02
    18   1     0.03   0.02   0.01     0.02   0.01   0.01    -0.04  -0.03  -0.01
    19   1     0.01  -0.02  -0.03     0.00  -0.01  -0.01     0.00  -0.01  -0.01
    20   1    -0.00   0.00  -0.01    -0.01   0.00  -0.01    -0.01   0.00  -0.02
    21   1    -0.01  -0.05  -0.02    -0.00  -0.00  -0.00     0.02   0.04   0.02
    22   1    -0.08   0.06   0.03    -0.02   0.02   0.01     0.00   0.00  -0.00
    23   1     0.00   0.00  -0.01    -0.00  -0.00   0.01    -0.02  -0.02   0.04
    24   1    -0.01   0.01   0.00    -0.03   0.03   0.01    -0.01   0.01   0.00
    25   1    -0.00  -0.01  -0.00    -0.00  -0.01  -0.00     0.00  -0.00  -0.00
    26   1    -0.12  -0.31   0.34    -0.03  -0.09   0.10     0.00   0.01  -0.01
    27   1     0.53   0.55   0.26     0.13   0.13   0.06    -0.09  -0.09  -0.05
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3087.6215              3094.9777              3097.2986
 Red. masses --      1.0929                 1.1018                 1.1015
 Frc consts  --      6.1389                 6.2183                 6.2257
 IR Inten    --     40.2239                18.2200                12.1475
 RamAct Fr= 1--    161.7284                55.9750                46.5296
  Dep-P Fr= 1--      0.0786                 0.7155                 0.7309
  Dep-U Fr= 1--      0.1457                 0.8342                 0.8445
 Alpha2 Fr= 1--      2.9831                 0.0333                 0.0152
 Beta2  Fr= 1--      3.9273                 7.7823                 6.5491
 AlphaG Fr= 1--     -0.5398                -0.0995                -0.1040
 Gamma2 Fr= 1--    -28.5737                13.8655                13.0211
 Delta2 Fr= 1--    -14.6629                 9.0932                 3.2257
 Raman1 Fr= 1--     646.914                223.900                186.118
 ROA1   Fr= 1--   -3212.289               1622.070               1353.245
 CID1   Fr= 1--      -4.966                  7.245                  7.271
 Raman2 Fr= 1--      47.127                 93.387                 78.589
 ROA2   Fr= 1--    -568.465                260.027                286.700
 CID2   Fr= 1--     -12.062                  2.784                  3.648
 Raman3 Fr= 1--      94.254                186.774                157.178
 ROA3   Fr= 1--   -3212.289               1622.070               1353.245
 CID3   Fr= 1--     -34.081                  8.685                  8.610
 RC180  Fr= 1--      -0.709                  0.668                  0.689
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.04  -0.03  -0.04    -0.01  -0.01  -0.01     0.00   0.00   0.00
     3   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     4   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     5   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   6     0.03  -0.03  -0.03     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   6     0.01  -0.02   0.01     0.00  -0.00   0.00     0.01   0.00   0.01
     8   6     0.01   0.01   0.00    -0.05  -0.07   0.01    -0.01  -0.02  -0.00
     9   1     0.05   0.14   0.46     0.01   0.03   0.09    -0.00  -0.00  -0.01
    10   1     0.40   0.18   0.03     0.09   0.04   0.01    -0.01  -0.00  -0.00
    11   6     0.00   0.00  -0.00     0.01  -0.01   0.00    -0.05   0.06  -0.01
    12   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.01  -0.02  -0.02
    13   6    -0.01  -0.01  -0.01     0.01   0.02  -0.01    -0.02  -0.04   0.02
    14   1    -0.36   0.34   0.36    -0.04   0.04   0.04     0.04  -0.04  -0.04
    15   1     0.09   0.17   0.08     0.01   0.01   0.01    -0.02  -0.03  -0.01
    16   1    -0.19   0.08  -0.23    -0.03   0.01  -0.04    -0.05   0.02  -0.06
    17   1    -0.01  -0.07   0.07     0.07   0.47  -0.44     0.01   0.09  -0.09
    18   1    -0.08  -0.05  -0.03     0.54   0.37   0.19     0.12   0.08   0.04
    19   1     0.01  -0.02  -0.04    -0.04   0.05   0.15    -0.01   0.02   0.05
    20   1     0.01  -0.00   0.02    -0.05   0.02  -0.08     0.25  -0.07   0.39
    21   1    -0.02  -0.04  -0.02     0.01   0.01   0.01    -0.12  -0.28  -0.13
    22   1    -0.00  -0.00   0.00    -0.07   0.05   0.02     0.43  -0.30  -0.14
    23   1    -0.01  -0.01   0.02     0.00   0.00  -0.00    -0.08  -0.07   0.11
    24   1    -0.04   0.04   0.01     0.00  -0.00  -0.00    -0.13   0.12   0.05
    25   1    -0.00  -0.01  -0.00    -0.01  -0.01  -0.00     0.08   0.15   0.05
    26   1    -0.00  -0.01   0.01    -0.04  -0.12   0.14     0.09   0.25  -0.29
    27   1     0.09   0.09   0.05    -0.06  -0.06  -0.03     0.18   0.18   0.10
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3101.2637              3102.0487              3104.8809
 Red. masses --      1.0998                 1.1009                 1.1006
 Frc consts  --      6.2323                 6.2419                 6.2513
 IR Inten    --     15.4840                19.1886                28.9548
 RamAct Fr= 1--     75.8629                49.6967                79.9167
  Dep-P Fr= 1--      0.7391                 0.7154                 0.6407
  Dep-U Fr= 1--      0.8500                 0.8341                 0.7810
 Alpha2 Fr= 1--      0.0141                 0.0297                 0.1577
 Beta2  Fr= 1--     10.7467                 6.9088                10.4028
 AlphaG Fr= 1--     -0.0478                -0.1679                -0.0209
 Gamma2 Fr= 1--    -11.0004               -14.6785               -32.6334
 Delta2 Fr= 1--    -12.3306                -7.2096                -1.7722
 Raman1 Fr= 1--     303.452                198.787                319.667
 ROA1   Fr= 1--   -1450.621              -1639.843              -3189.520
 CID1   Fr= 1--      -4.780                 -8.249                 -9.978
 Raman2 Fr= 1--     128.961                 82.905                124.833
 ROA2   Fr= 1--    -165.366               -294.607               -769.024
 CID2   Fr= 1--      -1.282                 -3.554                 -6.160
 Raman3 Fr= 1--     257.922                165.811                249.667
 ROA3   Fr= 1--   -1450.621              -1639.843              -3189.520
 CID3   Fr= 1--      -5.624                 -9.890                -12.775
 RC180  Fr= 1--       0.700                  0.668                  0.562
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     2   6     0.00   0.00   0.01     0.00   0.00   0.00     0.01   0.00   0.01
     3   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     4   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     5   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   6     0.01   0.00   0.01     0.00   0.00   0.00     0.01   0.00   0.02
     8   6     0.00   0.01   0.02     0.00  -0.01  -0.09    -0.00  -0.01   0.01
     9   1    -0.01  -0.02  -0.06     0.00  -0.00   0.00    -0.01  -0.02  -0.07
    10   1    -0.04  -0.02  -0.00    -0.01  -0.00  -0.00    -0.06  -0.02  -0.00
    11   6     0.01   0.01   0.02     0.01  -0.00   0.00     0.01  -0.06  -0.02
    12   6     0.03  -0.06  -0.05     0.01  -0.01  -0.01     0.02  -0.01  -0.02
    13   6     0.02   0.03  -0.01     0.00   0.00  -0.00    -0.02  -0.04   0.02
    14   1    -0.02   0.02   0.02    -0.01   0.01   0.01     0.00   0.00   0.00
    15   1    -0.02  -0.05  -0.02    -0.01  -0.02  -0.01    -0.04  -0.08  -0.04
    16   1    -0.04   0.02  -0.05    -0.03   0.01  -0.03    -0.14   0.06  -0.17
    17   1     0.01   0.03  -0.02    -0.06  -0.35   0.31     0.01   0.07  -0.06
    18   1    -0.09  -0.06  -0.03     0.18   0.13   0.04     0.03   0.02   0.01
    19   1     0.04  -0.08  -0.17    -0.15   0.35   0.72     0.01  -0.02  -0.05
    20   1    -0.09   0.03  -0.14    -0.04   0.01  -0.06    -0.03  -0.00  -0.05
    21   1    -0.05  -0.14  -0.06     0.00   0.01   0.00     0.18   0.48   0.20
    22   1    -0.02   0.02   0.01    -0.04   0.03   0.01    -0.30   0.20   0.09
    23   1    -0.17  -0.15   0.26    -0.04  -0.04   0.07    -0.14  -0.11   0.21
    24   1    -0.39   0.34   0.13    -0.09   0.08   0.03    -0.15   0.14   0.05
    25   1     0.25   0.48   0.16     0.05   0.10   0.04     0.04   0.07   0.02
    26   1    -0.08  -0.21   0.24    -0.01  -0.02   0.02     0.12   0.32  -0.38
    27   1    -0.14  -0.14  -0.08    -0.02  -0.01  -0.01     0.18   0.18   0.10
                     73                     74                     75
                      A                      A                      A
 Frequencies --   3111.3452              3117.0360              3120.4785
 Red. masses --      1.1012                 1.1003                 1.0984
 Frc consts  --      6.2809                 6.2987                 6.3014
 IR Inten    --     38.7663                35.5906                19.9238
 RamAct Fr= 1--     44.3509                40.9754                87.8585
  Dep-P Fr= 1--      0.3223                 0.7071                 0.6143
  Dep-U Fr= 1--      0.4875                 0.8284                 0.7611
 Alpha2 Fr= 1--      0.4250                 0.0305                 0.2188
 Beta2  Fr= 1--      3.6037                 5.6576                11.1443
 AlphaG Fr= 1--     -0.2825                -0.0438                -0.1334
 Gamma2 Fr= 1--     12.0553                28.4305                 2.7975
 Delta2 Fr= 1--      0.4995                13.3959                 3.4614
 Raman1 Fr= 1--     177.404                163.902                351.434
 ROA1   Fr= 1--    1173.293               3157.996                379.327
 CID1   Fr= 1--       6.614                 19.268                  1.079
 Raman2 Fr= 1--      43.245                 67.891                133.732
 ROA2   Fr= 1--     285.331                575.164                 39.450
 CID2   Fr= 1--       6.598                  8.472                  0.295
 Raman3 Fr= 1--      86.489                135.783                267.464
 ROA3   Fr= 1--    1173.293               3157.996                379.327
 CID3   Fr= 1--      13.566                 23.258                  1.418
 RC180  Fr= 1--      -0.025                  0.657                  0.522
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.01  -0.01  -0.02    -0.00  -0.00  -0.00    -0.01  -0.01  -0.01
     3   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     4   8     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     5   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.04  -0.00  -0.05    -0.01  -0.00  -0.01    -0.03   0.00  -0.04
     8   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     9   1     0.02   0.06   0.19     0.00   0.01   0.04     0.01   0.04   0.12
    10   1     0.13   0.06   0.01     0.03   0.01   0.00     0.08   0.04   0.01
    11   6     0.01  -0.01   0.00    -0.05  -0.03  -0.06     0.01   0.00   0.01
    12   6    -0.03  -0.05   0.01     0.00  -0.00  -0.01     0.05   0.04  -0.03
    13   6    -0.01  -0.02   0.01     0.01   0.03  -0.02    -0.00  -0.00   0.00
    14   1     0.02  -0.02  -0.02    -0.02   0.02   0.02     0.00  -0.00  -0.00
    15   1     0.10   0.21   0.09     0.03   0.06   0.02     0.07   0.16   0.07
    16   1     0.38  -0.16   0.46     0.11  -0.05   0.13     0.34  -0.15   0.41
    17   1     0.00   0.02  -0.02    -0.00  -0.02   0.02     0.00   0.00  -0.00
    18   1     0.03   0.02   0.01    -0.01  -0.00  -0.00     0.01   0.00   0.00
    19   1    -0.00   0.00   0.01    -0.00   0.01   0.01    -0.00   0.00   0.01
    20   1    -0.05   0.02  -0.08     0.38  -0.13   0.58    -0.06   0.02  -0.09
    21   1     0.03   0.06   0.03     0.17   0.48   0.19    -0.03  -0.08  -0.03
    22   1    -0.06   0.05   0.02     0.03  -0.04  -0.03    -0.00   0.00   0.00
    23   1     0.19   0.14  -0.29    -0.04  -0.03   0.05    -0.34  -0.26   0.51
    24   1    -0.05   0.03   0.02    -0.04   0.03   0.01    -0.06   0.07   0.02
    25   1     0.20   0.42   0.16     0.02   0.04   0.02    -0.16  -0.34  -0.13
    26   1     0.05   0.15  -0.17    -0.08  -0.23   0.26     0.01   0.03  -0.04
    27   1     0.09   0.09   0.05    -0.09  -0.09  -0.05     0.02   0.02   0.01

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  8 and mass  15.99491
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Molecular mass:   152.12012 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1156.156871542.294241871.71619
           X            0.99996  -0.00882   0.00167
           Y            0.00891   0.99756  -0.06919
           Z           -0.00106   0.06920   0.99760
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.07492     0.05616     0.04628
 Rotational constants (GHZ):           1.56098     1.17017     0.96422
 Zero-point vibrational energy     632687.8 (Joules/Mol)
                                  151.21600 (Kcal/Mol)
 Warning -- explicit consideration of  16 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    123.56   264.55   276.93   290.50   304.01
          (Kelvin)            332.22   376.92   423.95   433.83   472.42
                              536.75   612.47   648.87   737.32   755.60
                              863.33   958.09  1042.86  1135.21  1196.03
                             1207.25  1218.89  1288.70  1294.34  1352.41
                             1372.70  1388.73  1394.71  1451.33  1465.85
                             1486.56  1499.62  1572.32  1621.13  1633.25
                             1695.23  1717.33  1757.98  1783.79  1796.63
                             1824.26  1837.51  1862.55  1902.68  1937.48
                             1958.19  2012.29  2040.55  2046.25  2133.91
                             2142.35  2143.90  2151.51  2159.73  2161.32
                             2172.23  2180.65  2205.74  2606.48  4365.42
                             4366.49  4372.38  4386.69  4396.26  4405.24
                             4438.45  4442.40  4452.98  4456.32  4462.03
                             4463.16  4467.23  4476.53  4484.72  4489.67
 
 Zero-point correction=                           0.240978 (Hartree/Particle)
 Thermal correction to Energy=                    0.251725
 Thermal correction to Enthalpy=                  0.252669
 Thermal correction to Gibbs Free Energy=         0.206044
 Sum of electronic and zero-point Energies=           -465.911457
 Sum of electronic and thermal Energies=              -465.900710
 Sum of electronic and thermal Enthalpies=            -465.899766
 Sum of electronic and thermal Free Energies=         -465.946392
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  157.960             43.409             98.131
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.968
 Rotational               0.889              2.981             29.591
 Vibrational            156.182             37.447             27.572
 Vibration     1          0.601              1.959              3.752
 Vibration     2          0.631              1.862              2.289
 Vibration     3          0.634              1.850              2.204
 Vibration     4          0.639              1.837              2.116
 Vibration     5          0.643              1.824              2.032
 Vibration     6          0.653              1.794              1.872
 Vibration     7          0.669              1.742              1.649
 Vibration     8          0.689              1.684              1.447
 Vibration     9          0.694              1.671              1.408
 Vibration    10          0.712              1.619              1.268
 Vibration    11          0.744              1.527              1.067
 Vibration    12          0.788              1.414              0.873
 Vibration    13          0.810              1.359              0.793
 Vibration    14          0.868              1.222              0.628
 Vibration    15          0.880              1.194              0.598
 Vibration    16          0.958              1.032              0.450
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.168493D-94        -94.773418       -218.223859
 Total V=0       0.117135D+17         16.068688         36.999522
 Vib (Bot)       0.349374-108       -108.456709       -249.730801
 Vib (Bot)    1  0.239572D+01          0.379437          0.873685
 Vib (Bot)    2  0.109088D+01          0.037776          0.086983
 Vib (Bot)    3  0.103889D+01          0.016570          0.038154
 Vib (Bot)    4  0.986818D+00         -0.005763         -0.013270
 Vib (Bot)    5  0.939482D+00         -0.027111         -0.062426
 Vib (Bot)    6  0.852655D+00         -0.069227         -0.159400
 Vib (Bot)    7  0.740708D+00         -0.130353         -0.300148
 Vib (Bot)    8  0.647342D+00         -0.188866         -0.434880
 Vib (Bot)    9  0.630166D+00         -0.200545         -0.461772
 Vib (Bot)   10  0.569620D+00         -0.244415         -0.562786
 Vib (Bot)   11  0.486998D+00         -0.312473         -0.719495
 Vib (Bot)   12  0.410684D+00         -0.386493         -0.889932
 Vib (Bot)   13  0.379939D+00         -0.420286         -0.967744
 Vib (Bot)   14  0.317150D+00         -0.498735         -1.148381
 Vib (Bot)   15  0.305900D+00         -0.514421         -1.184498
 Vib (Bot)   16  0.248834D+00         -0.604090         -1.390969
 Vib (V=0)       0.242883D+03          2.385397          5.492579
 Vib (V=0)    1  0.294734D+01          0.469431          1.080904
 Vib (V=0)    2  0.170001D+01          0.230451          0.530632
 Vib (V=0)    3  0.165295D+01          0.218260          0.502562
 Vib (V=0)    4  0.160626D+01          0.205816          0.473908
 Vib (V=0)    5  0.156425D+01          0.194306          0.447406
 Vib (V=0)    6  0.148844D+01          0.172732          0.397731
 Vib (V=0)    7  0.139367D+01          0.144160          0.331942
 Vib (V=0)    8  0.131796D+01          0.119901          0.276082
 Vib (V=0)    9  0.130443D+01          0.115421          0.265767
 Vib (V=0)   10  0.125794D+01          0.099658          0.229472
 Vib (V=0)   11  0.119797D+01          0.078447          0.180631
 Vib (V=0)   12  0.114704D+01          0.059579          0.137185
 Vib (V=0)   13  0.112798D+01          0.052300          0.120425
 Vib (V=0)   14  0.109210D+01          0.038263          0.088104
 Vib (V=0)   15  0.108615D+01          0.035891          0.082642
 Vib (V=0)   16  0.105850D+01          0.024689          0.056850
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.737452D+08          7.867734         18.116127
 Rotational      0.653970D+06          5.815558         13.390816
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000037599    0.000019168   -0.000005098
      2        6          -0.000002106    0.000008803   -0.000002381
      3        6          -0.000016150   -0.000039130    0.000016469
      4        8          -0.000004764    0.000001143   -0.000001256
      5        6           0.000011724    0.000019384   -0.000017198
      6        6           0.000002633   -0.000014174    0.000000313
      7        6          -0.000022461   -0.000025110    0.000014448
      8        6          -0.000006918    0.000008412   -0.000001871
      9        1           0.000016720    0.000003054   -0.000003343
     10        1           0.000003337    0.000002564   -0.000004853
     11        6          -0.000007239    0.000010104   -0.000002703
     12        6          -0.000001933   -0.000002322    0.000007317
     13        6          -0.000007911    0.000004980   -0.000010840
     14        1          -0.000003652   -0.000005885   -0.000005214
     15        1           0.000002695    0.000002058    0.000002364
     16        1           0.000003865    0.000000601   -0.000006832
     17        1           0.000000506   -0.000000629    0.000000907
     18        1          -0.000007328    0.000003835    0.000001678
     19        1          -0.000003484   -0.000001810   -0.000000522
     20        1          -0.000012374   -0.000001121    0.000004398
     21        1           0.000005471    0.000002947    0.000002104
     22        1          -0.000001534   -0.000001014    0.000001089
     23        1          -0.000001276   -0.000000580    0.000002169
     24        1           0.000007468    0.000001108    0.000001121
     25        1          -0.000002820   -0.000001290    0.000001659
     26        1           0.000010146    0.000001056    0.000010378
     27        1          -0.000000218    0.000003848   -0.000004305
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000039130 RMS     0.000009953
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.123197D+03  0.240678D+00 -0.433876D+00
      2   0.240678D+00  0.113956D+03  0.761970D+00
      3  -0.433876D+00  0.761970D+00  0.105003D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.157573D+01  0.795601D+01 -0.124297D+02
      2  -0.775233D+01 -0.587119D-01 -0.352298D+01
      3   0.166414D+02 -0.394647D+01 -0.214466D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.915154D+00 -0.185905D+02  0.527602D+00
      2   0.769475D+01  0.286028D+02 -0.239356D+02
      3  -0.677959D+01 -0.100124D+02  0.234080D+02
      4   0.805138D+01  0.984996D+01  0.265795D+01
      5   0.126574D+02  0.192996D+01 -0.123923D+02
      6   0.171171D+01 -0.983043D+01  0.146201D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.351080D+01  0.327144D+01  0.616600D+00  0.342015D+01 -0.876912D+00
      2   0.327144D+01 -0.656846D+00  0.107015D+01 -0.876912D+00 -0.430630D+01
      3   0.616600D+00  0.107015D+01  0.196434D+01  0.139971D+01  0.115178D+01
                 6             7             8             9            10 
      1   0.139971D+01  0.198585D+01  0.216052D+01  0.128684D+01 -0.402014D+01
      2   0.115178D+01  0.216052D+01  0.205827D+01 -0.366763D+01 -0.455768D+01
      3  -0.359681D+01  0.128684D+01 -0.366763D+01 -0.158755D+01 -0.255754D+00
                11            12            13            14            15 
      1  -0.455768D+01 -0.255754D+00 -0.382063D+01  0.509748D+00  0.404289D+00
      2  -0.511270D+00  0.609513D+00  0.509748D+00  0.237392D+01 -0.171806D+01
      3   0.609513D+00  0.709424D+00  0.404289D+00 -0.171806D+01  0.266246D+01
                16            17            18            19            20 
      1  -0.184808D+01 -0.101575D+00 -0.505387D+00 -0.614088D+00 -0.126974D+01
      2  -0.101575D+00 -0.312836D+01  0.264670D+01 -0.126974D+01  0.224573D+01
      3  -0.505387D+00  0.264670D+01  0.393213D+01 -0.726094D+00  0.484866D+00
                21            22            23            24            25 
      1  -0.726094D+00 -0.412262D+01  0.192534D+01  0.301566D+00 -0.219074D+01
      2   0.484866D+00  0.192534D+01  0.518895D+01  0.219862D+01  0.523182D+00
      3  -0.527393D+00  0.301566D+00  0.219862D+01  0.991839D+00 -0.940590D+00
                26            27            28            29            30 
      1   0.523182D+00 -0.940590D+00 -0.300363D+00 -0.228429D+01 -0.107164D+01
      2   0.262514D+01  0.182055D+01 -0.228429D+01 -0.405413D+00 -0.136262D+00
      3   0.182055D+01  0.109441D+01 -0.107164D+01 -0.136262D+00 -0.141511D+00
                31            32            33            34            35 
      1  -0.961890D+00 -0.518144D+00 -0.533363D-01 -0.695623D+00 -0.278275D+00
      2  -0.518144D+00 -0.121490D+02 -0.370502D+01 -0.278275D+00 -0.377922D+01
      3  -0.533363D-01 -0.370502D+01 -0.251579D+01  0.132638D+00 -0.390869D+01
                36            37            38            39            40 
      1   0.132638D+00 -0.262694D+01  0.671352D+00  0.440086D+00  0.210320D+01
      2  -0.390869D+01  0.671352D+00 -0.205812D+01 -0.252569D+01 -0.339811D+01
      3  -0.394243D+01  0.440086D+00 -0.252569D+01  0.257980D+01 -0.392626D+01
                41            42            43            44            45 
      1  -0.339811D+01 -0.392626D+01  0.104741D+01 -0.353046D+01  0.342648D+01
      2  -0.142654D+01 -0.101105D+01 -0.353046D+01 -0.162739D+01  0.163737D+00
      3  -0.101105D+01  0.933598D+00  0.342648D+01  0.163737D+00 -0.391205D+00
                46            47            48            49            50 
      1   0.108517D+01  0.538642D+00 -0.179404D+01  0.423428D+00  0.296651D+01
      2   0.538642D+00  0.202841D+01  0.400074D+01  0.296651D+01  0.739309D+00
      3  -0.179404D+01  0.400074D+01 -0.567543D+00  0.464574D+01  0.791020D-01
                51            52            53            54            55 
      1   0.464574D+01 -0.144800D+01  0.450404D+01 -0.203188D-01  0.161967D+00
      2   0.791020D-01  0.450404D+01  0.682704D+00 -0.198786D+01  0.488582D+00
      3  -0.107770D+01 -0.203188D-01 -0.198786D+01 -0.236644D+00  0.110454D+01
                56            57            58            59            60 
      1   0.488582D+00  0.110454D+01  0.105984D+01 -0.205436D+01 -0.268842D+01
      2  -0.215041D+01 -0.316902D+01 -0.205436D+01 -0.302090D+01 -0.111880D+01
      3  -0.316902D+01  0.173032D+01 -0.268842D+01 -0.111880D+01  0.222232D+00
                61            62            63            64            65 
      1   0.107066D+01 -0.331429D+01  0.233385D+01 -0.211078D+01 -0.372402D+01
      2  -0.331429D+01 -0.157162D+01 -0.804769D+00 -0.372402D+01  0.237602D+00
      3   0.233385D+01 -0.804769D+00  0.400469D+00 -0.758908D+00 -0.145687D+01
                66            67            68            69            70 
      1  -0.758908D+00 -0.396479D+01 -0.692969D+00 -0.161052D+01 -0.522443D+00
      2  -0.145687D+01 -0.692969D+00  0.238599D+01 -0.172263D+01 -0.176346D+01
      3  -0.123687D+01 -0.161052D+01 -0.172263D+01  0.406936D+01 -0.197350D+01
                71            72            73            74            75 
      1  -0.176346D+01 -0.197350D+01  0.417474D+00  0.264942D+00 -0.850800D+00
      2  -0.181177D+01  0.410210D+01  0.264942D+00 -0.167560D+00 -0.220398D-01
      3   0.410210D+01  0.179828D+01 -0.850800D+00 -0.220398D-01 -0.388784D+00
                76            77            78            79            80 
      1  -0.757463D-01  0.211875D+00  0.346050D+00 -0.140274D+01  0.523081D-01
      2   0.211875D+00 -0.727433D+00 -0.800823D+00  0.523081D-01 -0.103336D+01
      3   0.346050D+00 -0.800823D+00 -0.189445D+01  0.110902D+01 -0.425050D+00
                81            82            83            84            85 
      1   0.110902D+01  0.846830D+01  0.332095D+01 -0.115654D+01  0.270991D+01
      2  -0.425050D+00  0.332095D+01  0.271531D+01 -0.717717D+00  0.177224D+01
      3  -0.783166D+01 -0.115654D+01 -0.717717D+00  0.112476D+01 -0.487552D+00
                86            87            88            89            90 
      1   0.177224D+01 -0.487552D+00  0.657163D+00  0.202483D+00  0.937087D+00
      2   0.192719D+01 -0.165394D+00  0.202483D+00  0.720415D+00  0.231183D+00
      3  -0.165394D+00  0.306463D+00  0.937087D+00  0.231183D+00 -0.528831D+00
                91            92            93            94            95 
      1   0.256305D+01 -0.181273D+01 -0.124490D+01 -0.299728D+01  0.311813D+01
      2  -0.181273D+01  0.187242D+01  0.302144D+01  0.311813D+01  0.294153D+01
      3  -0.124490D+01  0.302144D+01 -0.299537D+01  0.395008D+01  0.107541D+01
                96            97            98            99           100 
      1   0.395008D+01 -0.291593D+00  0.319448D+01 -0.330028D+01  0.221174D+01
      2   0.107541D+01  0.319448D+01  0.198702D+01 -0.588014D-02 -0.151391D+01
      3  -0.920234D+00 -0.330028D+01 -0.588014D-02 -0.142917D+01 -0.420028D+00
               101           102           103           104           105 
      1  -0.151391D+01 -0.420028D+00 -0.140527D+01  0.407487D+01  0.305223D+01
      2   0.292472D+01  0.248716D+01  0.407487D+01  0.132720D+01  0.181781D+01
      3   0.248716D+01 -0.335510D+01  0.305223D+01  0.181781D+01 -0.344731D+00
               106           107           108           109           110 
      1  -0.139202D+01  0.344821D+01 -0.325179D+01 -0.470373D+00 -0.299844D+01
      2   0.344821D+01  0.126587D+01 -0.416851D+00 -0.299844D+01 -0.153551D+01
      3  -0.325179D+01 -0.416851D+00  0.107564D+01  0.176636D+00 -0.401668D+01
               111           112           113           114           115 
      1   0.176636D+00 -0.303191D+01 -0.159886D+01 -0.390199D+01  0.547905D+00
      2  -0.401668D+01 -0.159886D+01  0.431971D+00 -0.196029D+01 -0.371250D+01
      3  -0.517044D+00 -0.390199D+01 -0.196029D+01  0.301488D+01 -0.903921D+00
               116           117           118           119           120 
      1  -0.371250D+01 -0.903921D+00 -0.390084D+01  0.190852D+01  0.213363D+01
      2  -0.103842D+01  0.350682D+01  0.190852D+01 -0.239708D+01 -0.158541D+01
      3   0.350682D+01 -0.946321D+00  0.213363D+01 -0.158541D+01 -0.182946D+01
               121           122           123           124           125 
      1   0.164691D+01 -0.219112D+01 -0.155415D+01  0.197422D+01 -0.167874D+01
      2  -0.219112D+01  0.375632D+01  0.183732D+01 -0.167874D+01  0.200827D+01
      3  -0.155415D+01  0.183732D+01  0.190911D+01 -0.194569D+01  0.225900D+01
               126           127           128           129           130 
      1  -0.194569D+01  0.145965D+01  0.173788D+01  0.110244D+00  0.152343D+01
      2   0.225900D+01  0.173788D+01  0.294847D+01  0.594044D+00  0.207219D+01
      3   0.335159D+01  0.110244D+00  0.594044D+00  0.257720D+00  0.384569D+00
               131           132           133           134           135 
      1   0.207219D+01  0.384569D+00  0.564370D+00  0.945897D+00  0.182123D+00
      2   0.904366D+01  0.116589D+01  0.945897D+00  0.290471D+01  0.145460D+01
      3   0.116589D+01  0.106610D+01  0.182123D+00  0.145460D+01  0.921215D+00
               136           137           138           139           140 
      1  -0.320948D+01  0.882029D+00 -0.174327D+01  0.252978D+00 -0.126717D+01
      2   0.882029D+00 -0.205330D+01  0.146473D+01 -0.126717D+01  0.235431D+01
      3  -0.174327D+01  0.146473D+01 -0.197265D+01  0.811446D+00 -0.135533D+01
               141           142           143           144           145 
      1   0.811446D+00 -0.217298D+01  0.115263D+01 -0.187369D+01  0.193854D-01
      2  -0.135533D+01  0.115263D+01 -0.230565D+01  0.211704D+01 -0.302362D+00
      3   0.126707D+01 -0.187369D+01  0.211704D+01 -0.369676D+01  0.612467D+00
               146           147           148           149           150 
      1  -0.302362D+00  0.612467D+00 -0.115654D+01  0.141478D+01 -0.437133D+00
      2  -0.351143D+00  0.204336D+00  0.141478D+01 -0.534748D+01  0.264753D+01
      3   0.204336D+00 -0.151658D+00 -0.437133D+00  0.264753D+01 -0.263208D+01
               151           152           153           154           155 
      1   0.156643D+01 -0.798807D+00  0.956665D+00  0.810396D+01  0.154654D+01
      2  -0.798807D+00  0.324392D+01 -0.281110D+01  0.154654D+01  0.125946D+01
      3   0.956665D+00 -0.281110D+01  0.286020D+01  0.143904D+01  0.365364D+00
               156           157           158           159           160 
      1   0.143904D+01  0.428598D+01  0.134336D+01  0.797412D+00  0.189154D+01
      2   0.365364D+00  0.134336D+01  0.146314D+01  0.498799D+00  0.429117D+00
      3   0.127388D+01  0.797412D+00  0.498799D+00  0.502562D+00  0.159017D+01
               161           162           163           164           165 
      1   0.429117D+00  0.159017D+01  0.158760D+01 -0.546141D+00 -0.115621D+01
      2   0.620543D+00 -0.123203D+00 -0.546141D+00  0.647378D+00  0.778186D+00
      3  -0.123203D+00  0.699160D+00 -0.115621D+01  0.778186D+00  0.103138D+01
               166           167           168           169           170 
      1  -0.108472D+01  0.141315D+01  0.101587D+01 -0.309004D+01  0.182494D+01
      2   0.141315D+01 -0.252812D+01 -0.134583D+01  0.182494D+01 -0.231852D+01
      3   0.101587D+01 -0.134583D+01 -0.207006D+01  0.219969D+01 -0.245231D+01
               171           172           173           174           175 
      1   0.219969D+01  0.314215D+01  0.822522D+00  0.908623D+00  0.635166D+00
      2  -0.245231D+01  0.822522D+00  0.911713D+00 -0.946706D+00  0.196228D+00
      3  -0.473467D+01  0.908623D+00 -0.946706D+00  0.235582D+01 -0.572540D+00
               176           177           178           179           180 
      1   0.196228D+00 -0.572540D+00  0.159975D+01 -0.247658D+00  0.978867D+00
      2  -0.106095D+01  0.103831D+01 -0.247658D+00  0.120396D+01 -0.152784D+01
      3   0.103831D+01 -0.115657D+01  0.978867D+00 -0.152784D+01  0.612736D+01
               181           182           183           184           185 
      1  -0.226229D+01 -0.160285D+01 -0.259449D-01 -0.269210D+01 -0.319799D+01
      2  -0.160285D+01 -0.200188D+01 -0.357340D+00 -0.319799D+01 -0.617736D+01
      3  -0.259449D-01 -0.357340D+00 -0.884690D-01 -0.164771D+00 -0.145645D+00
               186           187           188           189           190 
      1  -0.164771D+00 -0.131418D+01 -0.115244D+01 -0.727166D-01 -0.723686D+01
      2  -0.145645D+00 -0.115244D+01 -0.159545D+01 -0.671168D+00  0.155203D+01
      3  -0.120027D+01 -0.727166D-01 -0.671168D+00 -0.634203D+00  0.252970D+01
               191           192           193           194           195 
      1   0.155203D+01  0.252970D+01  0.389262D+01 -0.186731D+01 -0.180399D+01
      2  -0.157768D+01 -0.660870D+00 -0.186731D+01  0.138257D+01  0.583773D+00
      3  -0.660870D+00 -0.172761D+01 -0.180399D+01  0.583773D+00  0.163087D+01
               196           197           198           199           200 
      1   0.159511D+01 -0.742103D+00 -0.131848D+01  0.186221D+01  0.947150D+00
      2  -0.742103D+00  0.208781D+00  0.520994D+00  0.947150D+00  0.585887D+00
      3  -0.131848D+01  0.520994D+00  0.161855D+01 -0.644915D+00 -0.796125D+00
               201           202           203           204           205 
      1  -0.644915D+00  0.138020D+01  0.225213D+00 -0.340368D+00 -0.117665D+01
      2  -0.796125D+00  0.225213D+00  0.126067D+01 -0.138832D+01 -0.644408D+00
      3   0.228123D+01 -0.340368D+00 -0.138832D+01  0.166243D+01  0.722122D+00
               206           207           208           209           210 
      1  -0.644408D+00  0.722122D+00 -0.650859D+01  0.277262D+01 -0.268457D+00
      2  -0.154044D+01  0.164469D+01  0.277262D+01 -0.243664D+01 -0.100460D+00
      3   0.164469D+01 -0.551004D+01 -0.268457D+00 -0.100460D+00 -0.805603D+00
               211           212           213           214           215 
      1   0.392715D+01 -0.302852D+01  0.236517D-01  0.176013D+01 -0.897390D+00
      2  -0.302852D+01  0.287434D+01 -0.332766D+00 -0.897390D+00  0.559081D+00
      3   0.236517D-01 -0.332766D+00  0.949019D+00 -0.420736D+00  0.510012D+00
               216           217           218           219           220 
      1  -0.420736D+00 -0.308442D+01 -0.152530D+01 -0.124982D+01 -0.334444D+01
      2   0.510012D+00 -0.152530D+01 -0.177227D+01 -0.102397D+01 -0.264174D+01
      3   0.426251D+00 -0.124982D+01 -0.102397D+01 -0.823309D+00 -0.198470D+01
               221           222           223           224           225 
      1  -0.264174D+01 -0.198470D+01 -0.107951D+01 -0.110493D+01 -0.970281D+00
      2  -0.380911D+01 -0.167235D+01 -0.110493D+01 -0.117641D+01 -0.117202D+01
      3  -0.167235D+01 -0.225809D+01 -0.970281D+00 -0.117202D+01 -0.180726D+01
               226           227           228           229           230 
      1  -0.251438D+01 -0.932963D+00  0.101076D+01 -0.130111D+01 -0.161532D+00
      2  -0.932963D+00 -0.348761D+00  0.635872D+00 -0.161532D+00 -0.232827D+01
      3   0.101076D+01  0.635872D+00 -0.602045D+00  0.467411D+00  0.226602D+01
               231           232           233           234           235 
      1   0.467411D+00  0.107802D+01  0.376425D+00 -0.140329D+00  0.426609D+01
      2   0.226602D+01  0.376425D+00  0.152757D+01 -0.218597D+01  0.234520D+01
      3  -0.345197D+01 -0.140329D+00 -0.218597D+01  0.616271D+01  0.228500D+01
               236           237           238           239           240 
      1   0.234520D+01  0.228500D+01  0.269809D+01  0.225110D+01  0.192571D+01
      2   0.204677D+01  0.179876D+01  0.225110D+01  0.343044D+01  0.208197D+01
      3   0.179876D+01  0.242174D+01  0.192571D+01  0.208197D+01  0.193077D+01
               241           242           243 
      1   0.128605D+01  0.115281D+01  0.178216D+01
      2   0.115281D+01  0.131035D+01  0.118291D+01
      3   0.178216D+01  0.118291D+01  0.280878D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.443433D+00  0.259996D+01  0.307567D+00  0.670987D+00  0.215633D+01
      2  -0.273229D+01 -0.428569D-01  0.114122D+02  0.172053D+01  0.220191D+01
      3  -0.486195D+01 -0.644341D+01  0.299106D-01  0.372305D+01  0.597221D+01
                 6             7             8             9            10 
      1  -0.464344D+01  0.133527D+01  0.203420D+01 -0.489766D+00  0.560151D+01
      2  -0.605866D+01 -0.541052D+00 -0.930400D+01 -0.395656D+01 -0.204241D+01
      3  -0.223408D+01 -0.372153D+01 -0.699972D+01  0.498291D+01  0.841771D+01
                11            12            13            14            15 
      1  -0.185401D+01 -0.177635D+01 -0.165787D+01  0.144560D+01 -0.147453D+01
      2  -0.858948D+00  0.307918D+01 -0.423912D+01 -0.198654D+01  0.605949D+01
      3  -0.529371D+01 -0.165940D+01 -0.267603D+01 -0.382427D+01  0.356305D+01
                16            17            18            19            20 
      1  -0.959442D+00  0.430413D+01 -0.809305D+01  0.246759D-01 -0.123380D+01
      2  -0.394085D+01  0.800846D+01  0.102757D+02  0.228736D+01  0.420313D+01
      3  -0.537526D+00  0.808629D+01 -0.476751D+01  0.224359D+01 -0.426273D+00
                21            22            23            24            25 
      1  -0.134584D+01  0.109994D+01 -0.716233D+01  0.598509D+01 -0.815064D+00
      2  -0.641659D+01  0.985952D+01 -0.113820D+01  0.253024D+01 -0.191788D+02
      3  -0.340084D+01  0.641403D+01 -0.355512D+01  0.714761D+00 -0.840205D+01
                26            27            28            29            30 
      1   0.944053D+01  0.887367D+01 -0.340833D+00  0.676906D+00 -0.217071D+00
      2   0.327328D+01  0.192823D+01 -0.131968D+01 -0.178086D+01  0.336868D+01
      3   0.427814D+00 -0.105314D+01 -0.541474D-01  0.822505D+00  0.222934D+01
                31            32            33            34            35 
      1  -0.351767D+00  0.401263D+01 -0.101536D+02 -0.138480D+00 -0.107061D+00
      2  -0.876126D+01  0.144013D+00  0.163393D+01  0.621776D+00 -0.432206D-01
      3   0.121322D+02  0.269193D+01  0.125941D+01  0.900688D+01  0.804985D+00
                36            37            38            39            40 
      1  -0.694097D+01  0.638462D+00 -0.216228D+01  0.287975D+01 -0.856586D+00
      2   0.498541D+00  0.128106D+01  0.303307D+01  0.133867D+01  0.629888D+01
      3   0.109306D+01 -0.173585D+01 -0.114364D+02 -0.427750D+01 -0.177062D+01
                41            42            43            44            45 
      1  -0.135536D+01 -0.619889D+01  0.209421D+01  0.313794D+01 -0.368100D+00
      2   0.383273D+01 -0.435006D+01 -0.853725D+01  0.637780D+00 -0.184956D+01
      3  -0.125364D+01 -0.413265D+01 -0.612144D+01 -0.131369D+01  0.344764D+00
                46            47            48            49            50 
      1   0.382094D+01 -0.475185D+01  0.523701D+01 -0.558317D+01  0.300647D+00
      2   0.197456D+01 -0.236357D+01  0.511080D+01 -0.436415D+01 -0.119896D+01
      3  -0.244323D+01 -0.188269D+01 -0.494917D+00  0.499174D+01  0.472354D+01
                51            52            53            54            55 
      1  -0.254759D-01  0.574899D+01  0.742017D+01 -0.843410D+00 -0.487613D+01
      2  -0.336394D+01 -0.209475D+01 -0.463521D+01 -0.234677D+00 -0.985196D+00
      3   0.605353D+01  0.421025D+00  0.577775D+01 -0.191608D+01  0.616867D+00
                56            57            58            59            60 
      1   0.111905D+02 -0.471391D+01  0.102529D+02  0.518836D+01 -0.264247D+01
      2   0.746541D+00  0.310172D+01  0.947304D+00 -0.894860D+00 -0.174043D+01
      3  -0.865010D+00  0.333605D+01  0.655004D+01 -0.534944D+01 -0.862776D+01
                61            62            63            64            65 
      1  -0.645110D+01  0.482193D+01 -0.213336D+01 -0.766117D+00 -0.239180D+01
      2  -0.785587D+00 -0.217865D+01  0.229688D+01 -0.864180D+00 -0.380604D+01
      3   0.364287D+01 -0.102300D+02  0.772301D+01  0.143539D+02  0.187697D+01
                66            67            68            69            70 
      1  -0.169450D+01 -0.245547D+01 -0.202470D+01  0.398121D+01 -0.496997D+01
      2  -0.122730D+01 -0.525341D+01 -0.453543D+01  0.117151D+02 -0.914993D+01
      3   0.558158D+01  0.103352D+02 -0.750398D+01  0.725180D+01  0.584378D+01
                71            72            73            74            75 
      1   0.831930D+01  0.305679D+01  0.655463D+00  0.721483D+00  0.521609D+00
      2   0.125187D+02  0.532319D+01 -0.217379D+01 -0.120803D+00 -0.125121D+01
      3   0.680856D+01 -0.101960D+02 -0.737886D+00 -0.671671D-01 -0.681662D+00
                76            77            78            79            80 
      1  -0.121841D+00  0.279317D+01  0.191652D+01 -0.133283D+01  0.501065D+01
      2  -0.542094D+00 -0.151059D+01 -0.344010D+01 -0.278951D+01 -0.877187D+00
      3   0.478066D+00  0.192099D+01  0.119165D+01 -0.114158D+01  0.207510D+01
                81            82            83            84            85 
      1   0.934875D+01 -0.155400D+01 -0.205088D+01 -0.150956D+01 -0.127924D+01
      2  -0.132027D+02  0.542496D+01 -0.132559D+00  0.403853D+01  0.273253D+01
      3   0.189731D+01  0.350202D+01 -0.541125D+01  0.636389D+00  0.161456D+01
                86            87            88            89            90 
      1  -0.154732D+01 -0.135677D+01 -0.722096D+00 -0.243793D+00  0.436694D+00
      2   0.146315D+01  0.480138D+00  0.699279D+00 -0.732133D+00 -0.438152D+00
      3  -0.213484D+01 -0.586591D+00  0.158362D+00 -0.196274D+01  0.427147D+00
                91            92            93            94            95 
      1  -0.343865D+01  0.607724D+01  0.353815D+00  0.800981D+01  0.715521D+01
      2   0.184483D+00 -0.565071D+01  0.109167D+02 -0.849258D+01 -0.665270D+01
      3  -0.653635D+01  0.407074D+01  0.903666D+01  0.104209D+02  0.595623D+01
                96            97            98            99           100 
      1  -0.533059D+00  0.132200D+01  0.462560D+01 -0.353688D+01  0.102682D+01
      2  -0.131776D+01  0.756127D+01 -0.452327D+01  0.105380D+02  0.402582D+01
      3   0.882142D+00  0.976897D+01  0.168207D+01  0.292181D+01 -0.273829D+01
               101           102           103           104           105 
      1  -0.412618D+01 -0.397666D+01 -0.675062D+01 -0.235986D+01 -0.535036D+01
      2  -0.815417D+01  0.105896D+02 -0.852426D+01 -0.139735D+01  0.522840D+01
      3   0.576278D+01  0.682597D+01  0.133571D+02  0.391375D+01  0.655418D+01
               106           107           108           109           110 
      1  -0.486118D+01 -0.113844D+01  0.155800D+00 -0.642187D+01  0.117103D+00
      2   0.607685D+01  0.493681D+01 -0.783038D+01 -0.325393D+01  0.561427D-01
      3   0.100691D+02  0.418824D+01 -0.203958D+01  0.337428D+01 -0.423101D+01
               111           112           113           114           115 
      1  -0.768789D+01 -0.368286D+00 -0.661138D+00 -0.961904D+01 -0.640228D+01
      2  -0.739406D+00  0.120016D+01 -0.163274D+01  0.101301D+02 -0.488007D+01
      3   0.271817D+01  0.126137D+01 -0.351695D+01 -0.233223D+00  0.370388D+01
               116           117           118           119           120 
      1  -0.249855D+01  0.580538D+01 -0.152109D+01 -0.797315D+00  0.215857D+01
      2   0.102619D+02 -0.175843D+01  0.323042D+01 -0.844984D+00  0.108215D+01
      3  -0.595936D+00 -0.376401D+01 -0.573708D+01 -0.114932D+01  0.205377D+01
               121           122           123           124           125 
      1   0.392304D+00  0.140698D+01 -0.291091D+01  0.124560D+01  0.337837D+00
      2  -0.111404D+01  0.908788D+00 -0.936148D+00 -0.286913D+01  0.322608D+00
      3   0.296256D+01 -0.450053D-01 -0.114699D+01  0.303223D+01 -0.308477D-01
               126           127           128           129           130 
      1  -0.371430D+01 -0.788798D+00 -0.333999D+01 -0.162279D+01 -0.211261D+01
      2  -0.100011D+01  0.536668D+00  0.537835D+00  0.140594D+01  0.397304D+00
      3  -0.132097D+01  0.416703D+01  0.224153D+01  0.300710D+00  0.584748D+01
               131           132           133           134           135 
      1  -0.673745D+01 -0.613241D+01 -0.470130D+00 -0.368474D+01 -0.395301D+01
      2   0.104839D+01  0.111769D+01 -0.300464D+00  0.662383D+00 -0.971110D-01
      3   0.270240D+01  0.863594D+00  0.213061D+01  0.157749D+01 -0.149670D+00
               136           137           138           139           140 
      1   0.556143D+01 -0.123286D+01  0.578275D+01 -0.499836D+00  0.265094D+01
      2  -0.450517D+01 -0.104116D+00 -0.958672D+00 -0.151169D+00 -0.182953D+01
      3  -0.109084D+02  0.398176D+00 -0.470063D+01  0.138157D+01 -0.306611D+01
               141           142           143           144           145 
      1  -0.305495D+01  0.536159D+01 -0.159771D+01  0.954149D+01  0.714771D+00
      2   0.393135D-01 -0.495527D+01  0.793887D+00 -0.160513D+01  0.180639D+01
      3   0.252689D+01 -0.754851D+01  0.293284D+01 -0.545410D+01  0.112736D+01
               146           147           148           149           150 
      1  -0.314302D-01 -0.389133D+00 -0.316233D+00  0.156839D+01 -0.518145D+01
      2   0.199193D+00 -0.433155D-01  0.930888D-01  0.699825D+01 -0.772489D+01
      3   0.397876D+00 -0.132138D+01 -0.346438D-01  0.138195D+02 -0.736893D+01
               151           152           153           154           155 
      1   0.721414D+00 -0.151151D+01  0.422353D+01  0.193362D+01  0.131658D+01
      2   0.111498D-01 -0.745615D+01  0.785909D+01  0.222760D+01  0.867354D+00
      3  -0.109925D+01 -0.882066D+01  0.721169D+01 -0.122705D+02 -0.826227D+01
               156           157           158           159           160 
      1   0.983950D+00  0.111792D+01  0.127027D+01 -0.368668D+00  0.160411D+01
      2   0.562545D+01  0.151348D+01  0.113017D+01  0.233940D+01  0.266114D+01
      3  -0.282450D+01 -0.639748D+01 -0.716771D+01 -0.221008D+01 -0.338453D+01
               161           162           163           164           165 
      1   0.955835D+00  0.475453D+00 -0.170759D+01  0.101468D+01  0.184595D+01
      2  -0.415623D+00  0.206418D+01 -0.353039D+01  0.260425D+01  0.401005D+01
      3  -0.300827D+01 -0.110426D+01  0.298638D+00 -0.186075D+01 -0.716776D+00
               166           167           168           169           170 
      1   0.158948D+01 -0.138463D+01 -0.447049D+01  0.299528D+01 -0.156032D+01
      2   0.237553D+01 -0.399536D+01 -0.678044D+01  0.375944D+01 -0.700919D+01
      3  -0.942553D+00  0.592681D+01  0.283870D+01 -0.393501D+00  0.566116D+01
               171           172           173           174           175 
      1  -0.764749D+01  0.471864D+01  0.211212D+01  0.155990D+01  0.464383D+00
      2  -0.144757D+02 -0.138895D+02 -0.110692D+01 -0.645891D+01 -0.419223D+00
      3   0.510505D+01 -0.446169D+01  0.560300D-02 -0.327566D+01  0.621256D+00
               176           177           178           179           180 
      1  -0.644117D+00 -0.689568D+00  0.128956D+01  0.244176D+01  0.459921D+01
      2  -0.313548D+01  0.328917D+01 -0.891321D+01  0.340631D+01 -0.158251D+02
      3  -0.244298D+01  0.270434D+01 -0.350903D+01  0.253675D+01 -0.515915D+01
               181           182           183           184           185 
      1  -0.257815D+01 -0.319973D+01 -0.110403D+01 -0.439772D+01 -0.875001D+01
      2   0.271208D+01  0.274758D+01  0.113694D+01  0.347822D+01  0.460511D+01
      3  -0.147381D+01 -0.444284D+01 -0.696590D+00 -0.262322D+01 -0.132204D+02
               186           187           188           189           190 
      1  -0.444440D+01 -0.949078D+00 -0.213138D+01 -0.275255D+01  0.388173D+01
      2   0.446874D+01  0.145086D-01  0.272773D+01  0.218564D+01  0.250558D+01
      3  -0.571635D+00 -0.564324D+00 -0.342793D+01 -0.201630D+01  0.772954D+01
               191           192           193           194           195 
      1  -0.381102D+01 -0.158106D+01 -0.333278D+01  0.283271D+01  0.344333D+00
      2  -0.567489D+00  0.355888D+01 -0.495686D-01  0.693579D+00 -0.356326D+01
      3  -0.743591D+01 -0.316932D+01 -0.472411D+01  0.554884D+01  0.162020D+01
               196           197           198           199           200 
      1  -0.217242D+01  0.163318D+01  0.191944D+01 -0.238671D+01 -0.223844D+01
      2  -0.518321D+00 -0.166105D+00 -0.277665D+01  0.753247D+01  0.418933D+01
      3  -0.315752D+01  0.185247D+01  0.209999D+01  0.412797D+01  0.179131D+01
               201           202           203           204           205 
      1   0.563553D+00 -0.158893D+01 -0.273823D+01  0.684731D+00  0.130659D+01
      2  -0.596266D+01  0.479743D+01  0.470182D+01 -0.501172D+01 -0.711522D+01
      3  -0.225075D+01  0.328205D+01  0.397487D+01 -0.358910D+01 -0.289996D+01
               206           207           208           209           210 
      1   0.424767D+01 -0.613457D+00 -0.316386D+01  0.318957D+01  0.173431D+01
      2  -0.567634D+01  0.143777D+02 -0.521032D+01  0.330759D+01  0.405271D+01
      3  -0.385571D+01  0.444546D+01  0.430849D+01 -0.733605D+01 -0.430987D+00
               211           212           213           214           215 
      1   0.346949D+01 -0.327496D+01 -0.167745D+01  0.951937D+00  0.102540D+00
      2   0.367653D+01 -0.181072D+01 -0.415696D+01  0.675608D+00 -0.152464D+01
      3  -0.462869D+01  0.765663D+01 -0.799873D+00 -0.170160D+01  0.178859D+01
               216           217           218           219           220 
      1  -0.130406D+01  0.274607D+01  0.319266D+01  0.113829D+01  0.360034D+01
      2  -0.216607D+01 -0.527507D+00  0.609630D+00  0.178109D+01  0.199270D+00
      3   0.110945D+01 -0.426108D+01 -0.593605D+01 -0.300547D+01 -0.449545D+01
               221           222           223           224           225 
      1   0.724125D+01  0.509663D+00  0.209711D+01  0.312172D+01  0.147808D+01
      2   0.136854D+01  0.458432D+01 -0.294458D+00  0.123449D+01  0.356378D+01
      3  -0.117804D+02 -0.419084D+01 -0.299579D+01 -0.389410D+01 -0.318944D+01
               226           227           228           229           230 
      1  -0.378218D+01 -0.261848D+01  0.184040D+01 -0.117944D+01 -0.680173D+01
      2   0.994110D+01  0.414724D+01 -0.186208D+01  0.637454D+01  0.321475D+01
      3   0.191187D+01  0.377013D+00 -0.217340D+00  0.267802D+01  0.273391D+01
               231           232           233           234           235 
      1   0.455094D+01  0.122097D+01  0.703147D+01 -0.666246D+01  0.244528D+01
      2  -0.510858D+01 -0.502843D+01 -0.338347D+01  0.600953D+01 -0.485273D+01
      3  -0.207157D+01 -0.817448D+00 -0.101807D+01  0.237284D+01  0.191761D+01
               236           237           238           239           240 
      1   0.363130D+01  0.711362D+00  0.240142D+01  0.503884D+01  0.451768D+00
      2  -0.133435D+01  0.181443D+01 -0.375343D+01 -0.592748D+00 -0.630559D-01
      3  -0.224927D+01 -0.668717D-02  0.184622D+01 -0.256103D+01 -0.479550D+00
               241           242           243 
      1   0.107276D+01  0.247194D+01 -0.479579D+00
      2  -0.179331D+01 -0.978951D+00  0.514415D+00
      3   0.217893D+00 -0.104239D+01  0.395752D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.129763D+02  0.614456D+01 -0.158556D+01  0.126452D+02  0.104062D+00
      2  -0.842607D+01 -0.353606D+01 -0.236943D+01 -0.820123D+01  0.530246D+01
      3  -0.455021D+01 -0.260849D+01  0.395499D+01 -0.444394D+01 -0.540652D+01
      4   0.112503D+02  0.225990D+01  0.118123D+01  0.851188D+00 -0.525695D+01
      5  -0.176916D+01  0.361847D+01  0.887778D+01  0.659841D+01  0.820826D+01
      6  -0.108177D+01  0.137584D+01  0.559714D+01  0.384945D+01  0.701353D+01
                 6             7             8             9            10 
      1   0.346044D+01  0.318202D+01  0.587203D+01  0.726003D+01 -0.178401D+02
      2   0.297162D+00 -0.205149D+01  0.185676D+00 -0.177192D+01  0.148053D+01
      3  -0.375760D+01 -0.113054D+01 -0.605770D+01 -0.548811D+01  0.163596D+02
      4   0.462143D+01  0.429811D+01  0.689295D+01 -0.119729D+02 -0.235040D+02
      5  -0.606845D+01  0.588872D+01 -0.123156D+02 -0.143365D+01  0.752869D+01
      6  -0.187139D+01 -0.364498D+01 -0.344447D+01 -0.107495D+01  0.666835D+01
                11            12            13            14            15 
      1  -0.164147D+02  0.585709D+00 -0.175714D+02 -0.477787D+01  0.783326D+01
      2   0.126824D+02  0.288307D+01  0.112060D+02 -0.142105D+01  0.464892D+00
      3   0.373234D+01 -0.346878D+01  0.636549D+01  0.619892D+01 -0.829815D+01
      4  -0.120054D+02  0.264597D+01 -0.106565D+02  0.425945D+01 -0.449224D+01
      5   0.881853D+01  0.207428D+01  0.592731D+01 -0.691674D+01  0.742888D+01
      6   0.583417D+01 -0.123964D+01  0.495900D+00 -0.685923D+01  0.546917D+01
                16            17            18            19            20 
      1  -0.568880D+01  0.405022D+01  0.566990D+01 -0.175456D+02 -0.224740D+00
      2   0.326588D+01  0.101608D+00  0.132950D+02  0.109775D+02 -0.257092D+01
      3   0.242292D+01 -0.415183D+01 -0.189649D+02  0.656812D+01  0.279566D+01
      4  -0.266267D+01 -0.588882D+01  0.808097D+01 -0.157572D+01 -0.268135D+01
      5   0.188251D+01  0.989611D+01  0.811368D+01  0.888588D+00 -0.104659D+01
      6   0.278997D+01  0.834053D+01 -0.102111D+01  0.102652D+01 -0.223418D+01
                21            22            23            24            25 
      1  -0.797702D+00 -0.274770D+01  0.188000D+02  0.716759D+01 -0.311308D+01
      2   0.786813D+00  0.659146D+00 -0.267020D+02 -0.195008D+01  0.342101D+01
      3   0.108889D-01  0.208855D+01  0.790198D+01 -0.521752D+01 -0.307935D+00
      4   0.461345D+00 -0.662139D+01  0.296837D+01 -0.120225D+00 -0.566282D+01
      5  -0.609322D+01 -0.797352D+01 -0.384635D+01  0.233344D+01 -0.958896D+00
      6  -0.817727D+00 -0.322726D+00 -0.184054D+02 -0.113539D+02 -0.290426D+00
                26            27            28            29            30 
      1   0.869249D+01  0.310728D+01  0.188886D+01 -0.126882D+01 -0.104180D+01
      2  -0.144474D+02 -0.621645D+01  0.265277D+01  0.191991D+01  0.204513D+00
      3   0.575492D+01  0.310917D+01 -0.454163D+01 -0.651092D+00  0.837290D+00
      4  -0.705240D+00  0.238151D+01  0.126020D+01  0.128917D+02  0.352072D+01
      5   0.145504D+01 -0.425889D+00  0.798786D-01  0.311816D+01  0.727493D+01
      6  -0.355369D+01 -0.112547D+02  0.453254D+01  0.753363D+00  0.146061D+01
                31            32            33            34            35 
      1   0.126193D+01 -0.423963D+02 -0.150346D+02  0.390279D+00 -0.171160D+02
      2  -0.279695D+00  0.628481D+02  0.118297D+02 -0.906298D+00  0.132984D+02
      3  -0.982236D+00 -0.204518D+02  0.320494D+01  0.516019D+00  0.381760D+01
      4   0.145019D+02  0.183974D+00 -0.594953D+00  0.486555D+01 -0.776779D+00
      5   0.437152D+01  0.181330D+01  0.126105D+01  0.795348D+01  0.214890D+01
      6  -0.103291D+00  0.291353D+02  0.233991D+02  0.102315D+01  0.251684D+02
                36            37            38            39            40 
      1  -0.181146D+02  0.111174D+02  0.282636D+01  0.105806D+01 -0.421274D+01
      2   0.769073D+01 -0.339493D+01 -0.215633D+01  0.934974D+00  0.510377D+01
      3   0.104239D+02 -0.772247D+01 -0.670031D+00 -0.199303D+01 -0.891027D+00
      4  -0.243595D+00 -0.302676D+01  0.740074D+01  0.102637D+02  0.486769D+01
      5   0.249017D+01 -0.417931D+01  0.877920D+01 -0.817541D+01  0.141184D+02
      6   0.230440D+02  0.459475D+01 -0.912135D+00 -0.708066D+01  0.133229D+01
                41            42            43            44            45 
      1   0.784005D+01  0.106467D+02 -0.102989D+01  0.115261D+02 -0.132217D+02
      2  -0.409551D+01 -0.102251D+02 -0.200808D+00 -0.873351D+01  0.894147D+01
      3  -0.374454D+01 -0.421550D+00  0.123070D+01 -0.279255D+01  0.428020D+01
      4  -0.129257D+01  0.433221D+01  0.140686D+02  0.946067D+00 -0.394061D+01
      5   0.416496D+01 -0.835799D+01 -0.158436D+02 -0.169141D+01 -0.113511D+01
      6   0.292410D+00 -0.178047D+01 -0.419313D+01 -0.170071D+01  0.601580D+01
                46            47            48            49            50 
      1  -0.899025D+00 -0.605503D+01 -0.864097D+01 -0.788703D+01 -0.479554D+01
      2   0.463910D+01  0.243250D+01  0.119579D+02  0.285307D+01  0.456643D+01
      3  -0.374007D+01  0.362253D+01 -0.331690D+01  0.503396D+01  0.229114D+00
      4   0.509668D+01 -0.515428D+01 -0.670085D+01 -0.593727D+01  0.501323D+01
      5   0.211800D+01 -0.197295D+01 -0.705701D+01 -0.298684D+01  0.405290D+01
      6  -0.382450D+01  0.151578D+02  0.582073D+01  0.119188D+02 -0.224599D+01
                51            52            53            54            55 
      1  -0.194554D+01 -0.799026D+01 -0.390542D+01  0.434308D+01 -0.118054D+01
      2   0.428124D+01  0.108922D+02  0.639854D+01 -0.524821D+01  0.242990D+01
      3  -0.233570D+01 -0.290193D+01 -0.249312D+01  0.905128D+00 -0.124936D+01
      4   0.812660D+01 -0.107471D+02  0.998416D+01  0.401446D+01  0.233071D-01
      5   0.498532D+01 -0.384794D+01  0.522673D+01  0.179813D+01 -0.168915D+01
      6  -0.601342D+01  0.646065D+01 -0.743353D+01 -0.412430D+01  0.338688D+01
                56            57            58            59            60 
      1   0.793628D+01  0.102024D+02  0.101307D+02  0.103102D+02  0.257206D+01
      2  -0.168586D+02 -0.147319D+02 -0.150368D+02 -0.217320D+02 -0.857018D+01
      3   0.892231D+01  0.452949D+01  0.490604D+01  0.114218D+02  0.599812D+01
      4  -0.473195D+01  0.318314D+01 -0.216888D+01 -0.111709D+02 -0.919090D+01
      5  -0.153828D+01 -0.313701D+01 -0.255528D+01 -0.347485D+01  0.199663D+01
      6  -0.155751D+02  0.956856D+01 -0.108672D+02 -0.785084D+01 -0.784887D+00
                61            62            63            64            65 
      1   0.104354D+02  0.497201D+01  0.174328D+01 -0.212998D+02 -0.218378D+02
      2  -0.145916D+02 -0.128803D+02 -0.197022D+01  0.181763D+02  0.118100D+02
      3   0.415622D+01  0.790825D+01  0.226933D+00  0.312350D+01  0.100278D+02
      4   0.500622D+01 -0.130418D+02  0.574668D+01 -0.220358D+02  0.402572D+01
      5  -0.361801D+01  0.182006D+01 -0.383502D+01 -0.673018D+01 -0.104446D+02
      6   0.960616D+01 -0.503328D+01  0.436032D+01 -0.300144D+01  0.380391D+01
                66            67            68            69            70 
      1  -0.857794D+01 -0.298862D+02  0.484937D+01 -0.152200D+02 -0.844621D+01
      2   0.710226D+01  0.166803D+02 -0.504539D+01  0.113204D+02  0.601828D+01
      3   0.147569D+01  0.132059D+02  0.196019D+00  0.389961D+01  0.242793D+01
      4  -0.786706D+01 -0.451027D+00  0.910085D+01 -0.498092D+01 -0.963278D+01
      5  -0.712944D+01 -0.133275D+02 -0.778882D+01  0.203524D+02 -0.122618D+02
      6   0.145858D+01  0.193888D+01  0.706822D+01 -0.142282D+02  0.764828D+01
                71            72            73            74            75 
      1  -0.148065D+02  0.366663D+00  0.154770D+01  0.201396D+01 -0.342962D+01
      2   0.113527D+02 -0.667762D+01 -0.340729D+01 -0.190555D+01  0.682902D+00
      3   0.345383D+01  0.631096D+01  0.185959D+01 -0.108414D+00  0.274672D+01
      4  -0.411853D+01  0.213372D+02  0.223654D+01  0.142090D+01 -0.941332D+00
      5   0.214505D+02  0.111021D+02 -0.298173D+01 -0.334381D+00  0.438500D+01
      6  -0.155998D+02 -0.311267D+01 -0.115570D+01  0.312326D+00 -0.857671D+00
                76            77            78            79            80 
      1   0.683302D+00 -0.170264D+01 -0.181146D+01 -0.199928D+01  0.393309D+00
      2   0.582650D+00 -0.150163D+01 -0.589036D+01  0.521381D+01 -0.401555D+01
      3  -0.126595D+01  0.320427D+01  0.770182D+01 -0.321453D+01  0.362224D+01
      4   0.227489D+01 -0.220248D+01 -0.186620D+01 -0.190144D+01 -0.263426D+01
      5   0.174607D+01 -0.179115D+01 -0.563918D+01  0.888211D+01 -0.139461D+01
      6  -0.651283D+00  0.178077D+01  0.351893D+01  0.121724D+01  0.493256D+01
                81            82            83            84            85 
      1  -0.157458D+02  0.402614D+02  0.108097D+02 -0.321644D+01  0.929999D+01
      2  -0.223106D+02 -0.162660D+02 -0.117240D+01  0.300049D+01 -0.202271D+00
      3   0.380565D+02 -0.239953D+02 -0.963729D+01  0.215957D+00 -0.909772D+01
      4   0.213883D+00  0.327973D+02  0.199593D+02 -0.543492D+01  0.177248D+02
      5  -0.211649D+02 -0.160633D+02 -0.761269D+01  0.900700D+01 -0.529157D+01
      6  -0.891923D+01 -0.780886D+01 -0.599043D+01  0.469700D+01 -0.399641D+01
                86            87            88            89            90 
      1   0.452437D+01 -0.138004D+01  0.388430D+01  0.228417D-01  0.232803D+01
      2   0.383624D+01  0.335446D+00 -0.741652D-01  0.864911D+00 -0.372010D+01
      3  -0.836060D+01  0.104459D+01 -0.381014D+01 -0.887752D+00  0.139207D+01
      4   0.137877D+02 -0.224400D+01  0.148681D+01  0.243305D+01  0.319015D+01
      5  -0.274956D+01  0.248364D+01  0.592755D+01  0.153183D+01 -0.278635D+01
      6  -0.366509D+01  0.276985D+01  0.282568D+01  0.139300D+01 -0.862921D+00
                91            92            93            94            95 
      1  -0.160676D+02  0.812453D+01  0.163091D+02  0.148515D+02 -0.113283D+02
      2   0.108492D+02 -0.146814D+02 -0.524250D+01 -0.232051D+02 -0.431957D+01
      3   0.521842D+01  0.655687D+01 -0.110666D+02  0.835367D+01  0.156479D+02
      4   0.892997D+01 -0.886810D+01 -0.117662D+02 -0.118469D+02 -0.160958D+02
      5   0.130556D+02 -0.169863D+02  0.508328D+01 -0.243602D+02 -0.200857D+01
      6  -0.705898D+01  0.109814D-01  0.127108D+02 -0.983556D+00  0.312032D+00
                96            97            98            99           100 
      1  -0.168742D+02  0.134739D+02 -0.138919D+02  0.185175D+02 -0.131861D+02
      2   0.780389D+01 -0.439072D+01  0.284450D+01 -0.480348D+01  0.106778D+00
      3   0.907032D+01 -0.908313D+01  0.110474D+02 -0.137141D+02  0.130793D+02
      4  -0.878059D+01 -0.161248D+02 -0.105465D+02  0.692892D+01  0.111163D+02
      5   0.118037D+02  0.954212D+01  0.606560D+01 -0.170790D+01  0.550502D+00
      6   0.365308D+01  0.125462D+02  0.213820D+01  0.169145D+01 -0.545408D+00
               101           102           103           104           105 
      1   0.122744D+02 -0.367388D+01  0.143399D+02 -0.174205D+02 -0.153973D+02
      2   0.211742D+01 -0.516930D+01  0.373345D+00  0.108451D+02  0.575713D+01
      3  -0.143918D+02  0.884318D+01 -0.147132D+02  0.657543D+01  0.964019D+01
      4  -0.191929D+02 -0.114156D+02 -0.248489D+02 -0.349704D+01 -0.800646D+01
      5  -0.916406D+01  0.124144D+02 -0.121043D+02 -0.128775D+02 -0.456438D+01
      6  -0.602082D+01 -0.646101D+01 -0.981815D+01 -0.447139D+01 -0.565959D+01
               106           107           108           109           110 
      1   0.148573D+01 -0.180420D+02  0.185175D+02 -0.241158D+00  0.329398D+01
      2  -0.676934D+01  0.767761D+01 -0.728080D+01 -0.439471D+01  0.483685D+01
      3   0.528361D+01  0.103644D+02 -0.112367D+02  0.463586D+01 -0.813083D+01
      4  -0.165695D+02 -0.343334D+01 -0.253239D+01 -0.672385D+01 -0.535890D+01
      5   0.160824D+02 -0.571306D+01  0.421630D+01 -0.284489D+01 -0.130870D+02
      6  -0.909874D+01 -0.311238D+01  0.843826D+00 -0.751501D+01 -0.104174D+02
               111           112           113           114           115 
      1   0.471895D+01  0.555592D+00  0.199108D+00 -0.992315D+01  0.507798D+01
      2  -0.539279D+01  0.593903D+01  0.224824D+01 -0.551813D+01 -0.601777D+01
      3   0.673834D+00 -0.649462D+01 -0.244735D+01  0.154413D+02  0.939786D+00
      4  -0.805288D+01 -0.785286D+01 -0.259911D+01 -0.642917D+01 -0.699412D+01
      5  -0.199903D+01 -0.131012D+02 -0.785713D+01 -0.531724D+01 -0.426906D+01
      6  -0.114179D+02 -0.922304D+01 -0.433397D+01 -0.508235D+01 -0.776406D+01
               116           117           118           119           120 
      1  -0.978593D+01 -0.349614D+01  0.357593D+01  0.278024D+01  0.185684D+01
      2  -0.510133D+01  0.467761D+01 -0.152758D+01 -0.503014D+01 -0.159261D+00
      3   0.148873D+02 -0.118147D+01 -0.204835D+01  0.224990D+01 -0.169758D+01
      4  -0.523351D+01  0.322597D+01 -0.145373D+02  0.126099D+02  0.915511D+01
      5  -0.181615D+01 -0.155475D+01 -0.113311D+02  0.724343D+01  0.105527D+02
      6  -0.304276D+01  0.670265D+01  0.999902D+01 -0.963195D+01 -0.934794D+01
               121           122           123           124           125 
      1   0.369049D+01 -0.938569D+01 -0.564754D+01  0.231865D+01 -0.601498D+01
      2  -0.560912D+01  0.133353D+02  0.420049D+01 -0.558670D+00  0.329525D+01
      3   0.191863D+01 -0.394963D+01  0.144705D+01 -0.175998D+01  0.271974D+01
      4   0.108277D+02 -0.130640D+02 -0.776333D+01  0.838669D+01 -0.825854D+01
      5   0.601090D+01 -0.703584D+01 -0.585851D+01  0.950820D+01 -0.686176D+01
      6  -0.902953D+01  0.142900D+02  0.125091D+02 -0.934898D+01  0.135577D+02
               126           127           128           129           130 
      1  -0.820052D+01 -0.197323D+01 -0.749818D+01 -0.128734D+01 -0.508660D+01
      2  -0.848424D-01  0.829739D+01  0.181420D+02  0.311753D+01  0.123475D+02
      3   0.828536D+01 -0.632416D+01 -0.106438D+02 -0.183019D+01 -0.726086D+01
      4  -0.899333D+01  0.913662D+01  0.147893D+02  0.153310D+01  0.111836D+02
      5  -0.985349D+01  0.540944D+00  0.767166D+00  0.279708D+01  0.126443D+00
      6   0.155735D+02  0.105390D+01  0.278780D+01  0.191687D+01  0.228302D+01
               131           132           133           134           135 
      1  -0.318334D+02 -0.406833D+01 -0.229967D+01 -0.992383D+01 -0.542851D+01
      2   0.615770D+02  0.805254D+01  0.463923D+01  0.186066D+02  0.776439D+01
      3  -0.297436D+02 -0.398421D+01 -0.233956D+01 -0.868282D+01 -0.233588D+01
      4   0.182643D+02  0.319697D+01  0.341426D+01  0.626063D+01  0.268465D+01
      5   0.245732D+01  0.132076D+01  0.242603D+01  0.215812D+01  0.161912D+01
      6   0.721711D+01  0.851951D+01  0.160817D+01  0.109836D+02  0.617452D+01
               136           137           138           139           140 
      1   0.102892D+01  0.710741D+01 -0.470806D+01  0.382030D+01 -0.819407D+01
      2  -0.216434D+00 -0.942094D+01  0.452663D+01 -0.514032D+01  0.125432D+02
      3  -0.812491D+00  0.231353D+01  0.181438D+00  0.132002D+01 -0.434910D+01
      4  -0.111084D+02  0.790177D+01 -0.697278D+01  0.569474D+01 -0.495199D+01
      5   0.771213D+01 -0.261752D+01  0.574685D+01 -0.118275D+01  0.413856D+01
      6  -0.815465D+01  0.990223D+01 -0.104854D+02  0.682867D+01 -0.912585D+01
               141           142           143           144           145 
      1   0.554311D+01 -0.409629D+01  0.989830D+01 -0.103188D+02  0.120936D+01
      2  -0.543233D+01  0.262319D+01 -0.934902D+01  0.329159D+01 -0.209587D+00
      3  -0.110781D+00  0.147310D+01 -0.549288D+00  0.702717D+01 -0.999771D+00
      4   0.487581D+01 -0.783510D+01  0.615969D+01 -0.700267D+01 -0.442721D+00
      5  -0.236411D+01  0.731834D+01 -0.300833D+01  0.554997D+01  0.277271D+01
      6   0.964140D+01 -0.943109D+01  0.151032D+02 -0.198973D+02 -0.221904D+01
               146           147           148           149           150 
      1  -0.265765D+01  0.474372D+01 -0.302251D+01 -0.106561D+02  0.775860D+01
      2   0.183113D+01 -0.227396D+01 -0.128049D+01  0.196481D+02 -0.836062D+01
      3   0.826518D+00 -0.246975D+01  0.430300D+01 -0.899206D+01  0.602019D+00
      4   0.284986D+01 -0.166487D+01  0.114873D+02 -0.255088D+02  0.120138D+02
      5  -0.642991D+00  0.183156D+01 -0.373752D+01  0.131511D+02 -0.139741D+02
      6  -0.115396D+01  0.870592D+00  0.280415D+01 -0.157417D+02  0.139062D+02
               151           152           153           154           155 
      1   0.689938D+01  0.792820D+01 -0.706241D+01  0.621171D+02  0.118590D+02
      2  -0.288845D+01 -0.922197D+01  0.351832D+01 -0.362910D+02 -0.805778D+01
      3  -0.401093D+01  0.129377D+01  0.354410D+01 -0.258261D+02 -0.380124D+01
      4  -0.704913D+01  0.153330D+02 -0.128627D+02  0.366032D+01  0.918729D+01
      5   0.806338D+01 -0.144422D+02  0.141798D+02  0.144587D+02  0.320131D+01
      6  -0.383662D+01  0.150003D+02 -0.137346D+02 -0.832047D+00  0.488657D+00
               156           157           158           159           160 
      1   0.997971D+01  0.296180D+02  0.890652D+01  0.518995D+01  0.134207D+02
      2  -0.724724D+01 -0.175991D+02 -0.524794D+01 -0.451450D+01 -0.946525D+01
      3  -0.273247D+01 -0.120189D+02 -0.365858D+01 -0.675454D+00 -0.395549D+01
      4   0.126297D+01  0.859237D+01  0.100123D+02  0.272432D+01  0.134441D+01
      5   0.116160D+02  0.748398D+01  0.392390D+01  0.501808D+01  0.135319D+02
      6  -0.139592D+01  0.374490D+00  0.486874D+00  0.186078D+01 -0.140666D+01
               161           162           163           164           165 
      1   0.353168D+01  0.749160D+01  0.100020D+02 -0.202187D+01 -0.500483D+01
      2  -0.332061D+01 -0.557850D+01 -0.502514D+01 -0.540286D+00  0.173700D+01
      3  -0.211069D+00 -0.191310D+01 -0.497686D+01  0.256216D+01  0.326783D+01
      4   0.355257D+01 -0.781139D+00 -0.565044D+01  0.624766D+01  0.681551D+01
      5   0.527482D+00  0.615114D+01 -0.703437D+01  0.575587D+01  0.891696D+01
      6   0.307684D+01  0.814306D-03  0.412902D+01 -0.264776D+01 -0.326043D+01
               166           167           168           169           170 
      1  -0.267051D+01 -0.234819D+00  0.188022D+01 -0.128453D+02  0.334505D+01
      2  -0.169744D+01  0.608602D+01  0.146415D+01  0.577786D+01  0.181167D+01
      3   0.436796D+01 -0.585120D+01 -0.334437D+01  0.706744D+01 -0.515673D+01
      4   0.112791D+02 -0.150607D+02 -0.866265D+01  0.145078D+02 -0.146301D+02
      5   0.703625D+01 -0.769559D+01 -0.122105D+02  0.158513D+02 -0.142103D+02
      6  -0.398422D+01  0.617480D+01  0.998522D+01 -0.725092D+01  0.110132D+02
               171           172           173           174           175 
      1   0.157216D+01 -0.796831D+01  0.124788D+01 -0.109332D+02 -0.372592D+00
      2  -0.324485D+01  0.128690D+01  0.134563D+00 -0.426104D+00  0.173612D+01
      3   0.167269D+01  0.668140D+01 -0.138244D+01  0.113593D+02 -0.136353D+01
      4  -0.145716D+02 -0.476406D+01 -0.122013D+01  0.920566D+00  0.195025D+01
      5  -0.280284D+02  0.618028D+01  0.444952D+01 -0.305103D+01  0.291784D+01
      6   0.152820D+02  0.468926D+00  0.488242D+01 -0.661582D+01  0.220692D+01
               176           177           178           179           180 
      1  -0.464761D+01  0.760311D+01 -0.992890D+01  0.751927D+01 -0.235199D+02
      2   0.237321D+01 -0.189746D+01  0.211703D+01 -0.126661D+01 -0.815739D+01
      3   0.227440D+01 -0.570565D+01  0.781187D+01 -0.625266D+01  0.316773D+02
      4   0.309678D+01 -0.187580D+01 -0.150776D+01 -0.282710D+01  0.229183D+01
      5  -0.167907D+01  0.171160D+01  0.403428D+01  0.388849D+01 -0.160843D+02
      6  -0.513902D+01  0.795540D+01 -0.270889D+01  0.893433D+01 -0.150142D+02
               181           182           183           184           185 
      1   0.111659D+02  0.584781D+01 -0.359575D+00  0.881150D+01  0.192845D+01
      2  -0.138295D+01  0.363371D+01  0.819463D+00  0.504819D+01  0.193745D+02
      3  -0.978291D+01 -0.948152D+01 -0.459888D+00 -0.138597D+02 -0.213030D+02
      4   0.120590D+02  0.152676D+02  0.215770D+01  0.218944D+02  0.336591D+02
      5  -0.275782D+01  0.847897D-01  0.273003D+01 -0.164983D+01 -0.169324D+01
      6  -0.110289D+01 -0.286016D+01  0.610316D-01 -0.435919D+01 -0.874365D+01
               186           187           188           189           190 
      1   0.270083D+01  0.459335D+01  0.328368D+01 -0.104192D+01  0.451831D+02
      2   0.187769D+01 -0.225637D-01  0.375437D+01  0.204920D+01 -0.302983D+02
      3  -0.457852D+01 -0.457079D+01 -0.703805D+01 -0.100728D+01 -0.148848D+02
      4   0.127103D+01  0.798056D+01  0.881184D+01  0.323826D+01 -0.553996D+01
      5   0.581749D+01  0.138146D+01  0.283531D+01  0.391279D+01 -0.286033D+02
      6   0.478693D+01 -0.727040D-01  0.210318D+01  0.158647D+01  0.314519D+01
               191           192           193           194           195 
      1  -0.101093D+02 -0.126300D+02 -0.213453D+02  0.870002D+01  0.625551D+01
      2   0.844542D+01  0.121011D+02  0.160837D+02 -0.449492D+01 -0.738945D+01
      3   0.166387D+01  0.528883D+00  0.526157D+01 -0.420510D+01  0.113395D+01
      4   0.987289D+01  0.223479D+01  0.101588D+02 -0.814296D+01 -0.258325D+01
      5   0.679843D+01  0.170329D+02  0.163494D+02 -0.639802D+01 -0.120257D+02
      6  -0.444378D+01 -0.140647D+01 -0.420890D+01  0.499700D+01  0.226008D+01
               196           197           198           199           200 
      1  -0.859726D+01  0.278269D+01  0.422344D+01 -0.664800D+01 -0.551594D+01
      2   0.945719D+01 -0.276863D+01 -0.798159D+01  0.309115D+01  0.179566D+01
      3  -0.859922D+00 -0.140564D-01  0.375815D+01  0.355685D+01  0.372028D+01
      4   0.286457D+01 -0.127067D+01 -0.270305D+01  0.253229D-01  0.137269D+01
      5   0.139745D+02 -0.472246D+01 -0.115571D+02 -0.330203D+01  0.528364D+00
      6  -0.223513D+01  0.226585D+01  0.593470D+00 -0.190703D+01 -0.230725D+01
               201           202           203           204           205 
      1   0.844648D+01 -0.689741D+01 -0.472082D+01  0.761335D+01  0.765829D+01
      2   0.220865D+01  0.373972D+01  0.158229D+01  0.359660D+00 -0.172755D+01
      3  -0.106551D+02  0.315769D+01  0.313853D+01 -0.797301D+01 -0.593073D+01
      4   0.191746D+01  0.428575D+01 -0.292571D+01  0.449117D+01  0.683484D+00
      5  -0.346576D+01 -0.170931D+01  0.380336D+01 -0.490393D+01  0.340922D+01
      6   0.290277D+01 -0.660253D+00 -0.509656D+01  0.749498D+01  0.246087D+01
               206           207           208           209           210 
      1   0.860539D+01 -0.201498D+02  0.407801D+02 -0.156549D+02  0.180879D+00
      2  -0.933433D+00 -0.863503D+01 -0.168004D+02  0.336843D+01 -0.147508D+01
      3  -0.767196D+01  0.287849D+02 -0.239797D+02  0.122865D+02  0.129420D+01
      4   0.452313D+01 -0.475290D+01 -0.235234D+02  0.186895D+02  0.184711D+00
      5  -0.394175D+01  0.151933D+02  0.934662D+01 -0.299419D+01  0.701923D+01
      6   0.775335D+01 -0.956456D+01 -0.499232D+01  0.495479D+01 -0.131604D+01
               211           212           213           214           215 
      1  -0.219363D+02  0.121076D+02  0.138832D+01 -0.100262D+02  0.468382D+01
      2   0.592201D+01  0.376692D+00  0.142303D+01  0.371453D+01 -0.135347D+00
      3   0.160142D+02 -0.124843D+02 -0.281135D+01  0.631170D+01 -0.454848D+01
      4   0.233691D+02 -0.202397D+02  0.148524D+01  0.603737D+01 -0.415982D+01
      5  -0.520205D+01  0.462544D+01 -0.579905D+01  0.349907D+01 -0.248539D+01
      6   0.578232D+01 -0.456314D+01  0.361213D+01 -0.427398D+00  0.172813D+01
               216           217           218           219           220 
      1   0.184103D+01  0.164520D+02  0.630719D+01  0.552442D+01  0.135580D+02
      2  -0.624743D+00 -0.932295D+01 -0.467605D+01 -0.473121D+01 -0.895388D+01
      3  -0.121628D+01 -0.712901D+01 -0.163115D+01 -0.793206D+00 -0.460410D+01
      4  -0.361876D+01  0.940508D+01  0.123262D+02  0.567075D+01  0.173200D+02
      5  -0.291358D+01  0.118954D+02  0.786731D+01  0.832956D+01  0.150593D+02
      6   0.143087D+00  0.471854D+01  0.526697D+01  0.397568D+01  0.820114D+01
               221           222           223           224           225 
      1   0.707902D+01  0.418115D+01  0.405650D+01  0.259679D+01 -0.177405D+00
      2  -0.227574D+01 -0.636650D+01 -0.489913D+01 -0.375755D+01 -0.496011D+01
      3  -0.480328D+01  0.218535D+01  0.842633D+00  0.116076D+01  0.513752D+01
      4   0.209258D+02  0.895593D+01  0.608645D+01  0.592175D+01  0.657619D+01
      5   0.114418D+02  0.143705D+02  0.888214D+01  0.803881D+01  0.104992D+02
      6   0.123147D+02  0.820798D+01  0.475537D+01  0.632631D+01  0.502000D+01
               226           227           228           229           230 
      1   0.187446D+01  0.398519D+00  0.201837D+01 -0.138398D+00 -0.420959D+01
      2  -0.345448D+01 -0.186984D+01  0.226924D+01 -0.572794D+00 -0.332081D+01
      3   0.158001D+01  0.147132D+01 -0.428762D+01  0.711193D+00  0.753041D+01
      4   0.215642D+01  0.253012D+01  0.233851D+00  0.330145D+01 -0.213854D+01
      5  -0.560068D+01 -0.253555D+01  0.485671D+01 -0.407253D+01  0.199855D+01
      6  -0.279878D+01 -0.707654D+00  0.101461D+01 -0.353269D+00 -0.844438D+01
               231           232           233           234           235 
      1   0.839717D+01  0.100130D+01  0.574111D+01 -0.160768D+02  0.793242D+01
      2   0.777018D+01  0.681863D+00  0.538067D+01 -0.170767D+02 -0.570123D+01
      3  -0.161674D+02 -0.168316D+01 -0.111218D+02  0.331535D+02 -0.223119D+01
      4   0.284401D+01 -0.110791D-01  0.169539D+01 -0.195028D+01  0.135197D+02
      5  -0.366215D+01  0.590228D+01 -0.103298D+01  0.595517D+01  0.173251D+02
      6   0.978834D+01  0.164575D+01  0.821632D+01 -0.710045D+01  0.102748D+02
               236           237           238           239           240 
      1   0.608028D+00 -0.316123D+00  0.347900D+00 -0.501619D+01 -0.339714D+01
      2  -0.834189D+00 -0.482456D+01 -0.175363D+00  0.555502D+01 -0.106852D+00
      3   0.226161D+00  0.514068D+01 -0.172537D+00 -0.538831D+00  0.350399D+01
      4   0.115660D+02  0.823582D+01  0.120163D+02  0.131160D+02  0.821829D+01
      5   0.107085D+02  0.145650D+02  0.115087D+02  0.100329D+02  0.986177D+01
      6   0.937131D+01  0.964764D+01  0.101111D+02  0.143655D+02  0.124394D+02
               241           242           243 
      1  -0.152736D+01 -0.246629D+01 -0.442935D+01
      2  -0.296897D+01 -0.149339D+00 -0.488745D+01
      3   0.449633D+01  0.261562D+01  0.931680D+01
      4   0.566740D+01  0.501078D+01  0.601531D+01
      5   0.100558D+02  0.683367D+01  0.112656D+02
      6   0.736291D+01  0.884183D+01  0.941114D+01
 Leave Link  716 at Thu Jul 22 20:25:53 2021, MaxMem= 17179869184 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.123197D+03  0.240678D+00 -0.433876D+00
      2   0.240678D+00  0.113956D+03  0.761970D+00
      3  -0.433876D+00  0.761970D+00  0.105003D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.157573D+01  0.795601D+01 -0.124297D+02
      2  -0.775233D+01 -0.587119D-01 -0.352298D+01
      3   0.166414D+02 -0.394647D+01 -0.214466D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.915154D+00 -0.185905D+02  0.527602D+00
      2   0.769475D+01  0.286028D+02 -0.239356D+02
      3  -0.677959D+01 -0.100124D+02  0.234080D+02
      4   0.805138D+01  0.984996D+01  0.265795D+01
      5   0.126574D+02  0.192996D+01 -0.123923D+02
      6   0.171171D+01 -0.983043D+01  0.146201D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.351080D+01  0.327144D+01  0.616600D+00  0.342015D+01 -0.876912D+00
      2   0.327144D+01 -0.656846D+00  0.107015D+01 -0.876912D+00 -0.430630D+01
      3   0.616600D+00  0.107015D+01  0.196434D+01  0.139971D+01  0.115178D+01
                 6             7             8             9            10 
      1   0.139971D+01  0.198585D+01  0.216052D+01  0.128684D+01 -0.402014D+01
      2   0.115178D+01  0.216052D+01  0.205827D+01 -0.366763D+01 -0.455768D+01
      3  -0.359681D+01  0.128684D+01 -0.366763D+01 -0.158755D+01 -0.255754D+00
                11            12            13            14            15 
      1  -0.455768D+01 -0.255754D+00 -0.382063D+01  0.509748D+00  0.404289D+00
      2  -0.511270D+00  0.609513D+00  0.509748D+00  0.237392D+01 -0.171806D+01
      3   0.609513D+00  0.709424D+00  0.404289D+00 -0.171806D+01  0.266246D+01
                16            17            18            19            20 
      1  -0.184808D+01 -0.101575D+00 -0.505387D+00 -0.614088D+00 -0.126974D+01
      2  -0.101575D+00 -0.312836D+01  0.264670D+01 -0.126974D+01  0.224573D+01
      3  -0.505387D+00  0.264670D+01  0.393213D+01 -0.726094D+00  0.484866D+00
                21            22            23            24            25 
      1  -0.726094D+00 -0.412262D+01  0.192534D+01  0.301566D+00 -0.219074D+01
      2   0.484866D+00  0.192534D+01  0.518895D+01  0.219862D+01  0.523182D+00
      3  -0.527393D+00  0.301566D+00  0.219862D+01  0.991839D+00 -0.940590D+00
                26            27            28            29            30 
      1   0.523182D+00 -0.940590D+00 -0.300363D+00 -0.228429D+01 -0.107164D+01
      2   0.262514D+01  0.182055D+01 -0.228429D+01 -0.405413D+00 -0.136262D+00
      3   0.182055D+01  0.109441D+01 -0.107164D+01 -0.136262D+00 -0.141511D+00
                31            32            33            34            35 
      1  -0.961890D+00 -0.518144D+00 -0.533363D-01 -0.695623D+00 -0.278275D+00
      2  -0.518144D+00 -0.121490D+02 -0.370502D+01 -0.278275D+00 -0.377922D+01
      3  -0.533363D-01 -0.370502D+01 -0.251579D+01  0.132638D+00 -0.390869D+01
                36            37            38            39            40 
      1   0.132638D+00 -0.262694D+01  0.671352D+00  0.440086D+00  0.210320D+01
      2  -0.390869D+01  0.671352D+00 -0.205812D+01 -0.252569D+01 -0.339811D+01
      3  -0.394243D+01  0.440086D+00 -0.252569D+01  0.257980D+01 -0.392626D+01
                41            42            43            44            45 
      1  -0.339811D+01 -0.392626D+01  0.104741D+01 -0.353046D+01  0.342648D+01
      2  -0.142654D+01 -0.101105D+01 -0.353046D+01 -0.162739D+01  0.163737D+00
      3  -0.101105D+01  0.933598D+00  0.342648D+01  0.163737D+00 -0.391205D+00
                46            47            48            49            50 
      1   0.108517D+01  0.538642D+00 -0.179404D+01  0.423428D+00  0.296651D+01
      2   0.538642D+00  0.202841D+01  0.400074D+01  0.296651D+01  0.739309D+00
      3  -0.179404D+01  0.400074D+01 -0.567543D+00  0.464574D+01  0.791020D-01
                51            52            53            54            55 
      1   0.464574D+01 -0.144800D+01  0.450404D+01 -0.203188D-01  0.161967D+00
      2   0.791020D-01  0.450404D+01  0.682704D+00 -0.198786D+01  0.488582D+00
      3  -0.107770D+01 -0.203188D-01 -0.198786D+01 -0.236644D+00  0.110454D+01
                56            57            58            59            60 
      1   0.488582D+00  0.110454D+01  0.105984D+01 -0.205436D+01 -0.268842D+01
      2  -0.215041D+01 -0.316902D+01 -0.205436D+01 -0.302090D+01 -0.111880D+01
      3  -0.316902D+01  0.173032D+01 -0.268842D+01 -0.111880D+01  0.222232D+00
                61            62            63            64            65 
      1   0.107066D+01 -0.331429D+01  0.233385D+01 -0.211078D+01 -0.372402D+01
      2  -0.331429D+01 -0.157162D+01 -0.804769D+00 -0.372402D+01  0.237602D+00
      3   0.233385D+01 -0.804769D+00  0.400469D+00 -0.758908D+00 -0.145687D+01
                66            67            68            69            70 
      1  -0.758908D+00 -0.396479D+01 -0.692969D+00 -0.161052D+01 -0.522443D+00
      2  -0.145687D+01 -0.692969D+00  0.238599D+01 -0.172263D+01 -0.176346D+01
      3  -0.123687D+01 -0.161052D+01 -0.172263D+01  0.406936D+01 -0.197350D+01
                71            72            73            74            75 
      1  -0.176346D+01 -0.197350D+01  0.417474D+00  0.264942D+00 -0.850800D+00
      2  -0.181177D+01  0.410210D+01  0.264942D+00 -0.167560D+00 -0.220398D-01
      3   0.410210D+01  0.179828D+01 -0.850800D+00 -0.220398D-01 -0.388784D+00
                76            77            78            79            80 
      1  -0.757463D-01  0.211875D+00  0.346050D+00 -0.140274D+01  0.523081D-01
      2   0.211875D+00 -0.727433D+00 -0.800823D+00  0.523081D-01 -0.103336D+01
      3   0.346050D+00 -0.800823D+00 -0.189445D+01  0.110902D+01 -0.425050D+00
                81            82            83            84            85 
      1   0.110902D+01  0.846830D+01  0.332095D+01 -0.115654D+01  0.270991D+01
      2  -0.425050D+00  0.332095D+01  0.271531D+01 -0.717717D+00  0.177224D+01
      3  -0.783166D+01 -0.115654D+01 -0.717717D+00  0.112476D+01 -0.487552D+00
                86            87            88            89            90 
      1   0.177224D+01 -0.487552D+00  0.657163D+00  0.202483D+00  0.937087D+00
      2   0.192719D+01 -0.165394D+00  0.202483D+00  0.720415D+00  0.231183D+00
      3  -0.165394D+00  0.306463D+00  0.937087D+00  0.231183D+00 -0.528831D+00
                91            92            93            94            95 
      1   0.256305D+01 -0.181273D+01 -0.124490D+01 -0.299728D+01  0.311813D+01
      2  -0.181273D+01  0.187242D+01  0.302144D+01  0.311813D+01  0.294153D+01
      3  -0.124490D+01  0.302144D+01 -0.299537D+01  0.395008D+01  0.107541D+01
                96            97            98            99           100 
      1   0.395008D+01 -0.291593D+00  0.319448D+01 -0.330028D+01  0.221174D+01
      2   0.107541D+01  0.319448D+01  0.198702D+01 -0.588014D-02 -0.151391D+01
      3  -0.920234D+00 -0.330028D+01 -0.588014D-02 -0.142917D+01 -0.420028D+00
               101           102           103           104           105 
      1  -0.151391D+01 -0.420028D+00 -0.140527D+01  0.407487D+01  0.305223D+01
      2   0.292472D+01  0.248716D+01  0.407487D+01  0.132720D+01  0.181781D+01
      3   0.248716D+01 -0.335510D+01  0.305223D+01  0.181781D+01 -0.344731D+00
               106           107           108           109           110 
      1  -0.139202D+01  0.344821D+01 -0.325179D+01 -0.470373D+00 -0.299844D+01
      2   0.344821D+01  0.126587D+01 -0.416851D+00 -0.299844D+01 -0.153551D+01
      3  -0.325179D+01 -0.416851D+00  0.107564D+01  0.176636D+00 -0.401668D+01
               111           112           113           114           115 
      1   0.176636D+00 -0.303191D+01 -0.159886D+01 -0.390199D+01  0.547905D+00
      2  -0.401668D+01 -0.159886D+01  0.431971D+00 -0.196029D+01 -0.371250D+01
      3  -0.517044D+00 -0.390199D+01 -0.196029D+01  0.301488D+01 -0.903921D+00
               116           117           118           119           120 
      1  -0.371250D+01 -0.903921D+00 -0.390084D+01  0.190852D+01  0.213363D+01
      2  -0.103842D+01  0.350682D+01  0.190852D+01 -0.239708D+01 -0.158541D+01
      3   0.350682D+01 -0.946321D+00  0.213363D+01 -0.158541D+01 -0.182946D+01
               121           122           123           124           125 
      1   0.164691D+01 -0.219112D+01 -0.155415D+01  0.197422D+01 -0.167874D+01
      2  -0.219112D+01  0.375632D+01  0.183732D+01 -0.167874D+01  0.200827D+01
      3  -0.155415D+01  0.183732D+01  0.190911D+01 -0.194569D+01  0.225900D+01
               126           127           128           129           130 
      1  -0.194569D+01  0.145965D+01  0.173788D+01  0.110244D+00  0.152343D+01
      2   0.225900D+01  0.173788D+01  0.294847D+01  0.594044D+00  0.207219D+01
      3   0.335159D+01  0.110244D+00  0.594044D+00  0.257720D+00  0.384569D+00
               131           132           133           134           135 
      1   0.207219D+01  0.384569D+00  0.564370D+00  0.945897D+00  0.182123D+00
      2   0.904366D+01  0.116589D+01  0.945897D+00  0.290471D+01  0.145460D+01
      3   0.116589D+01  0.106610D+01  0.182123D+00  0.145460D+01  0.921215D+00
               136           137           138           139           140 
      1  -0.320948D+01  0.882029D+00 -0.174327D+01  0.252978D+00 -0.126717D+01
      2   0.882029D+00 -0.205330D+01  0.146473D+01 -0.126717D+01  0.235431D+01
      3  -0.174327D+01  0.146473D+01 -0.197265D+01  0.811446D+00 -0.135533D+01
               141           142           143           144           145 
      1   0.811446D+00 -0.217298D+01  0.115263D+01 -0.187369D+01  0.193854D-01
      2  -0.135533D+01  0.115263D+01 -0.230565D+01  0.211704D+01 -0.302362D+00
      3   0.126707D+01 -0.187369D+01  0.211704D+01 -0.369676D+01  0.612467D+00
               146           147           148           149           150 
      1  -0.302362D+00  0.612467D+00 -0.115654D+01  0.141478D+01 -0.437133D+00
      2  -0.351143D+00  0.204336D+00  0.141478D+01 -0.534748D+01  0.264753D+01
      3   0.204336D+00 -0.151658D+00 -0.437133D+00  0.264753D+01 -0.263208D+01
               151           152           153           154           155 
      1   0.156643D+01 -0.798807D+00  0.956665D+00  0.810396D+01  0.154654D+01
      2  -0.798807D+00  0.324392D+01 -0.281110D+01  0.154654D+01  0.125946D+01
      3   0.956665D+00 -0.281110D+01  0.286020D+01  0.143904D+01  0.365364D+00
               156           157           158           159           160 
      1   0.143904D+01  0.428598D+01  0.134336D+01  0.797412D+00  0.189154D+01
      2   0.365364D+00  0.134336D+01  0.146314D+01  0.498799D+00  0.429117D+00
      3   0.127388D+01  0.797412D+00  0.498799D+00  0.502562D+00  0.159017D+01
               161           162           163           164           165 
      1   0.429117D+00  0.159017D+01  0.158760D+01 -0.546141D+00 -0.115621D+01
      2   0.620543D+00 -0.123203D+00 -0.546141D+00  0.647378D+00  0.778186D+00
      3  -0.123203D+00  0.699160D+00 -0.115621D+01  0.778186D+00  0.103138D+01
               166           167           168           169           170 
      1  -0.108472D+01  0.141315D+01  0.101587D+01 -0.309004D+01  0.182494D+01
      2   0.141315D+01 -0.252812D+01 -0.134583D+01  0.182494D+01 -0.231852D+01
      3   0.101587D+01 -0.134583D+01 -0.207006D+01  0.219969D+01 -0.245231D+01
               171           172           173           174           175 
      1   0.219969D+01  0.314215D+01  0.822522D+00  0.908623D+00  0.635166D+00
      2  -0.245231D+01  0.822522D+00  0.911713D+00 -0.946706D+00  0.196228D+00
      3  -0.473467D+01  0.908623D+00 -0.946706D+00  0.235582D+01 -0.572540D+00
               176           177           178           179           180 
      1   0.196228D+00 -0.572540D+00  0.159975D+01 -0.247658D+00  0.978867D+00
      2  -0.106095D+01  0.103831D+01 -0.247658D+00  0.120396D+01 -0.152784D+01
      3   0.103831D+01 -0.115657D+01  0.978867D+00 -0.152784D+01  0.612736D+01
               181           182           183           184           185 
      1  -0.226229D+01 -0.160285D+01 -0.259449D-01 -0.269210D+01 -0.319799D+01
      2  -0.160285D+01 -0.200188D+01 -0.357340D+00 -0.319799D+01 -0.617736D+01
      3  -0.259449D-01 -0.357340D+00 -0.884690D-01 -0.164771D+00 -0.145645D+00
               186           187           188           189           190 
      1  -0.164771D+00 -0.131418D+01 -0.115244D+01 -0.727166D-01 -0.723686D+01
      2  -0.145645D+00 -0.115244D+01 -0.159545D+01 -0.671168D+00  0.155203D+01
      3  -0.120027D+01 -0.727166D-01 -0.671168D+00 -0.634203D+00  0.252970D+01
               191           192           193           194           195 
      1   0.155203D+01  0.252970D+01  0.389262D+01 -0.186731D+01 -0.180399D+01
      2  -0.157768D+01 -0.660870D+00 -0.186731D+01  0.138257D+01  0.583773D+00
      3  -0.660870D+00 -0.172761D+01 -0.180399D+01  0.583773D+00  0.163087D+01
               196           197           198           199           200 
      1   0.159511D+01 -0.742103D+00 -0.131848D+01  0.186221D+01  0.947150D+00
      2  -0.742103D+00  0.208781D+00  0.520994D+00  0.947150D+00  0.585887D+00
      3  -0.131848D+01  0.520994D+00  0.161855D+01 -0.644915D+00 -0.796125D+00
               201           202           203           204           205 
      1  -0.644915D+00  0.138020D+01  0.225213D+00 -0.340368D+00 -0.117665D+01
      2  -0.796125D+00  0.225213D+00  0.126067D+01 -0.138832D+01 -0.644408D+00
      3   0.228123D+01 -0.340368D+00 -0.138832D+01  0.166243D+01  0.722122D+00
               206           207           208           209           210 
      1  -0.644408D+00  0.722122D+00 -0.650859D+01  0.277262D+01 -0.268457D+00
      2  -0.154044D+01  0.164469D+01  0.277262D+01 -0.243664D+01 -0.100460D+00
      3   0.164469D+01 -0.551004D+01 -0.268457D+00 -0.100460D+00 -0.805603D+00
               211           212           213           214           215 
      1   0.392715D+01 -0.302852D+01  0.236517D-01  0.176013D+01 -0.897390D+00
      2  -0.302852D+01  0.287434D+01 -0.332766D+00 -0.897390D+00  0.559081D+00
      3   0.236517D-01 -0.332766D+00  0.949019D+00 -0.420736D+00  0.510012D+00
               216           217           218           219           220 
      1  -0.420736D+00 -0.308442D+01 -0.152530D+01 -0.124982D+01 -0.334444D+01
      2   0.510012D+00 -0.152530D+01 -0.177227D+01 -0.102397D+01 -0.264174D+01
      3   0.426251D+00 -0.124982D+01 -0.102397D+01 -0.823309D+00 -0.198470D+01
               221           222           223           224           225 
      1  -0.264174D+01 -0.198470D+01 -0.107951D+01 -0.110493D+01 -0.970281D+00
      2  -0.380911D+01 -0.167235D+01 -0.110493D+01 -0.117641D+01 -0.117202D+01
      3  -0.167235D+01 -0.225809D+01 -0.970281D+00 -0.117202D+01 -0.180726D+01
               226           227           228           229           230 
      1  -0.251438D+01 -0.932963D+00  0.101076D+01 -0.130111D+01 -0.161532D+00
      2  -0.932963D+00 -0.348761D+00  0.635872D+00 -0.161532D+00 -0.232827D+01
      3   0.101076D+01  0.635872D+00 -0.602045D+00  0.467411D+00  0.226602D+01
               231           232           233           234           235 
      1   0.467411D+00  0.107802D+01  0.376425D+00 -0.140329D+00  0.426609D+01
      2   0.226602D+01  0.376425D+00  0.152757D+01 -0.218597D+01  0.234520D+01
      3  -0.345197D+01 -0.140329D+00 -0.218597D+01  0.616271D+01  0.228500D+01
               236           237           238           239           240 
      1   0.234520D+01  0.228500D+01  0.269809D+01  0.225110D+01  0.192571D+01
      2   0.204677D+01  0.179876D+01  0.225110D+01  0.343044D+01  0.208197D+01
      3   0.179876D+01  0.242174D+01  0.192571D+01  0.208197D+01  0.193077D+01
               241           242           243 
      1   0.128605D+01  0.115281D+01  0.178216D+01
      2   0.115281D+01  0.131035D+01  0.118291D+01
      3   0.178216D+01  0.118291D+01  0.280878D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.443433D+00  0.259996D+01  0.307567D+00  0.670987D+00  0.215633D+01
      2  -0.273229D+01 -0.428569D-01  0.114122D+02  0.172053D+01  0.220191D+01
      3  -0.486195D+01 -0.644341D+01  0.299106D-01  0.372305D+01  0.597221D+01
                 6             7             8             9            10 
      1  -0.464344D+01  0.133527D+01  0.203420D+01 -0.489766D+00  0.560151D+01
      2  -0.605866D+01 -0.541052D+00 -0.930400D+01 -0.395656D+01 -0.204241D+01
      3  -0.223408D+01 -0.372153D+01 -0.699972D+01  0.498291D+01  0.841771D+01
                11            12            13            14            15 
      1  -0.185401D+01 -0.177635D+01 -0.165787D+01  0.144560D+01 -0.147453D+01
      2  -0.858948D+00  0.307918D+01 -0.423912D+01 -0.198654D+01  0.605949D+01
      3  -0.529371D+01 -0.165940D+01 -0.267603D+01 -0.382427D+01  0.356305D+01
                16            17            18            19            20 
      1  -0.959442D+00  0.430413D+01 -0.809305D+01  0.246759D-01 -0.123380D+01
      2  -0.394085D+01  0.800846D+01  0.102757D+02  0.228736D+01  0.420313D+01
      3  -0.537526D+00  0.808629D+01 -0.476751D+01  0.224359D+01 -0.426273D+00
                21            22            23            24            25 
      1  -0.134584D+01  0.109994D+01 -0.716233D+01  0.598509D+01 -0.815064D+00
      2  -0.641659D+01  0.985952D+01 -0.113820D+01  0.253024D+01 -0.191788D+02
      3  -0.340084D+01  0.641403D+01 -0.355512D+01  0.714761D+00 -0.840205D+01
                26            27            28            29            30 
      1   0.944053D+01  0.887367D+01 -0.340833D+00  0.676906D+00 -0.217071D+00
      2   0.327328D+01  0.192823D+01 -0.131968D+01 -0.178086D+01  0.336868D+01
      3   0.427814D+00 -0.105314D+01 -0.541474D-01  0.822505D+00  0.222934D+01
                31            32            33            34            35 
      1  -0.351767D+00  0.401263D+01 -0.101536D+02 -0.138480D+00 -0.107061D+00
      2  -0.876126D+01  0.144013D+00  0.163393D+01  0.621776D+00 -0.432206D-01
      3   0.121322D+02  0.269193D+01  0.125941D+01  0.900688D+01  0.804985D+00
                36            37            38            39            40 
      1  -0.694097D+01  0.638462D+00 -0.216228D+01  0.287975D+01 -0.856586D+00
      2   0.498541D+00  0.128106D+01  0.303307D+01  0.133867D+01  0.629888D+01
      3   0.109306D+01 -0.173585D+01 -0.114364D+02 -0.427750D+01 -0.177062D+01
                41            42            43            44            45 
      1  -0.135536D+01 -0.619889D+01  0.209421D+01  0.313794D+01 -0.368100D+00
      2   0.383273D+01 -0.435006D+01 -0.853725D+01  0.637780D+00 -0.184956D+01
      3  -0.125364D+01 -0.413265D+01 -0.612144D+01 -0.131369D+01  0.344764D+00
                46            47            48            49            50 
      1   0.382094D+01 -0.475185D+01  0.523701D+01 -0.558317D+01  0.300647D+00
      2   0.197456D+01 -0.236357D+01  0.511080D+01 -0.436415D+01 -0.119896D+01
      3  -0.244323D+01 -0.188269D+01 -0.494917D+00  0.499174D+01  0.472354D+01
                51            52            53            54            55 
      1  -0.254759D-01  0.574899D+01  0.742017D+01 -0.843410D+00 -0.487613D+01
      2  -0.336394D+01 -0.209475D+01 -0.463521D+01 -0.234677D+00 -0.985196D+00
      3   0.605353D+01  0.421025D+00  0.577775D+01 -0.191608D+01  0.616867D+00
                56            57            58            59            60 
      1   0.111905D+02 -0.471391D+01  0.102529D+02  0.518836D+01 -0.264247D+01
      2   0.746541D+00  0.310172D+01  0.947304D+00 -0.894860D+00 -0.174043D+01
      3  -0.865010D+00  0.333605D+01  0.655004D+01 -0.534944D+01 -0.862776D+01
                61            62            63            64            65 
      1  -0.645110D+01  0.482193D+01 -0.213336D+01 -0.766117D+00 -0.239180D+01
      2  -0.785587D+00 -0.217865D+01  0.229688D+01 -0.864180D+00 -0.380604D+01
      3   0.364287D+01 -0.102300D+02  0.772301D+01  0.143539D+02  0.187697D+01
                66            67            68            69            70 
      1  -0.169450D+01 -0.245547D+01 -0.202470D+01  0.398121D+01 -0.496997D+01
      2  -0.122730D+01 -0.525341D+01 -0.453543D+01  0.117151D+02 -0.914993D+01
      3   0.558158D+01  0.103352D+02 -0.750398D+01  0.725180D+01  0.584378D+01
                71            72            73            74            75 
      1   0.831930D+01  0.305679D+01  0.655463D+00  0.721483D+00  0.521609D+00
      2   0.125187D+02  0.532319D+01 -0.217379D+01 -0.120803D+00 -0.125121D+01
      3   0.680856D+01 -0.101960D+02 -0.737886D+00 -0.671671D-01 -0.681662D+00
                76            77            78            79            80 
      1  -0.121841D+00  0.279317D+01  0.191652D+01 -0.133283D+01  0.501065D+01
      2  -0.542094D+00 -0.151059D+01 -0.344010D+01 -0.278951D+01 -0.877187D+00
      3   0.478066D+00  0.192099D+01  0.119165D+01 -0.114158D+01  0.207510D+01
                81            82            83            84            85 
      1   0.934875D+01 -0.155400D+01 -0.205088D+01 -0.150956D+01 -0.127924D+01
      2  -0.132027D+02  0.542496D+01 -0.132559D+00  0.403853D+01  0.273253D+01
      3   0.189731D+01  0.350202D+01 -0.541125D+01  0.636389D+00  0.161456D+01
                86            87            88            89            90 
      1  -0.154732D+01 -0.135677D+01 -0.722096D+00 -0.243793D+00  0.436694D+00
      2   0.146315D+01  0.480138D+00  0.699279D+00 -0.732133D+00 -0.438152D+00
      3  -0.213484D+01 -0.586591D+00  0.158362D+00 -0.196274D+01  0.427147D+00
                91            92            93            94            95 
      1  -0.343865D+01  0.607724D+01  0.353815D+00  0.800981D+01  0.715521D+01
      2   0.184483D+00 -0.565071D+01  0.109167D+02 -0.849258D+01 -0.665270D+01
      3  -0.653635D+01  0.407074D+01  0.903666D+01  0.104209D+02  0.595623D+01
                96            97            98            99           100 
      1  -0.533059D+00  0.132200D+01  0.462560D+01 -0.353688D+01  0.102682D+01
      2  -0.131776D+01  0.756127D+01 -0.452327D+01  0.105380D+02  0.402582D+01
      3   0.882142D+00  0.976897D+01  0.168207D+01  0.292181D+01 -0.273829D+01
               101           102           103           104           105 
      1  -0.412618D+01 -0.397666D+01 -0.675062D+01 -0.235986D+01 -0.535036D+01
      2  -0.815417D+01  0.105896D+02 -0.852426D+01 -0.139735D+01  0.522840D+01
      3   0.576278D+01  0.682597D+01  0.133571D+02  0.391375D+01  0.655418D+01
               106           107           108           109           110 
      1  -0.486118D+01 -0.113844D+01  0.155800D+00 -0.642187D+01  0.117103D+00
      2   0.607685D+01  0.493681D+01 -0.783038D+01 -0.325393D+01  0.561427D-01
      3   0.100691D+02  0.418824D+01 -0.203958D+01  0.337428D+01 -0.423101D+01
               111           112           113           114           115 
      1  -0.768789D+01 -0.368286D+00 -0.661138D+00 -0.961904D+01 -0.640228D+01
      2  -0.739406D+00  0.120016D+01 -0.163274D+01  0.101301D+02 -0.488007D+01
      3   0.271817D+01  0.126137D+01 -0.351695D+01 -0.233223D+00  0.370388D+01
               116           117           118           119           120 
      1  -0.249855D+01  0.580538D+01 -0.152109D+01 -0.797315D+00  0.215857D+01
      2   0.102619D+02 -0.175843D+01  0.323042D+01 -0.844984D+00  0.108215D+01
      3  -0.595936D+00 -0.376401D+01 -0.573708D+01 -0.114932D+01  0.205377D+01
               121           122           123           124           125 
      1   0.392304D+00  0.140698D+01 -0.291091D+01  0.124560D+01  0.337837D+00
      2  -0.111404D+01  0.908788D+00 -0.936148D+00 -0.286913D+01  0.322608D+00
      3   0.296256D+01 -0.450053D-01 -0.114699D+01  0.303223D+01 -0.308477D-01
               126           127           128           129           130 
      1  -0.371430D+01 -0.788798D+00 -0.333999D+01 -0.162279D+01 -0.211261D+01
      2  -0.100011D+01  0.536668D+00  0.537835D+00  0.140594D+01  0.397304D+00
      3  -0.132097D+01  0.416703D+01  0.224153D+01  0.300710D+00  0.584748D+01
               131           132           133           134           135 
      1  -0.673745D+01 -0.613241D+01 -0.470130D+00 -0.368474D+01 -0.395301D+01
      2   0.104839D+01  0.111769D+01 -0.300464D+00  0.662383D+00 -0.971110D-01
      3   0.270240D+01  0.863594D+00  0.213061D+01  0.157749D+01 -0.149670D+00
               136           137           138           139           140 
      1   0.556143D+01 -0.123286D+01  0.578275D+01 -0.499836D+00  0.265094D+01
      2  -0.450517D+01 -0.104116D+00 -0.958672D+00 -0.151169D+00 -0.182953D+01
      3  -0.109084D+02  0.398176D+00 -0.470063D+01  0.138157D+01 -0.306611D+01
               141           142           143           144           145 
      1  -0.305495D+01  0.536159D+01 -0.159771D+01  0.954149D+01  0.714771D+00
      2   0.393135D-01 -0.495527D+01  0.793887D+00 -0.160513D+01  0.180639D+01
      3   0.252689D+01 -0.754851D+01  0.293284D+01 -0.545410D+01  0.112736D+01
               146           147           148           149           150 
      1  -0.314302D-01 -0.389133D+00 -0.316233D+00  0.156839D+01 -0.518145D+01
      2   0.199193D+00 -0.433155D-01  0.930888D-01  0.699825D+01 -0.772489D+01
      3   0.397876D+00 -0.132138D+01 -0.346438D-01  0.138195D+02 -0.736893D+01
               151           152           153           154           155 
      1   0.721414D+00 -0.151151D+01  0.422353D+01  0.193362D+01  0.131658D+01
      2   0.111498D-01 -0.745615D+01  0.785909D+01  0.222760D+01  0.867354D+00
      3  -0.109925D+01 -0.882066D+01  0.721169D+01 -0.122705D+02 -0.826227D+01
               156           157           158           159           160 
      1   0.983950D+00  0.111792D+01  0.127027D+01 -0.368668D+00  0.160411D+01
      2   0.562545D+01  0.151348D+01  0.113017D+01  0.233940D+01  0.266114D+01
      3  -0.282450D+01 -0.639748D+01 -0.716771D+01 -0.221008D+01 -0.338453D+01
               161           162           163           164           165 
      1   0.955835D+00  0.475453D+00 -0.170759D+01  0.101468D+01  0.184595D+01
      2  -0.415623D+00  0.206418D+01 -0.353039D+01  0.260425D+01  0.401005D+01
      3  -0.300827D+01 -0.110426D+01  0.298638D+00 -0.186075D+01 -0.716776D+00
               166           167           168           169           170 
      1   0.158948D+01 -0.138463D+01 -0.447049D+01  0.299528D+01 -0.156032D+01
      2   0.237553D+01 -0.399536D+01 -0.678044D+01  0.375944D+01 -0.700919D+01
      3  -0.942553D+00  0.592681D+01  0.283870D+01 -0.393501D+00  0.566116D+01
               171           172           173           174           175 
      1  -0.764749D+01  0.471864D+01  0.211212D+01  0.155990D+01  0.464383D+00
      2  -0.144757D+02 -0.138895D+02 -0.110692D+01 -0.645891D+01 -0.419223D+00
      3   0.510505D+01 -0.446169D+01  0.560300D-02 -0.327566D+01  0.621256D+00
               176           177           178           179           180 
      1  -0.644117D+00 -0.689568D+00  0.128956D+01  0.244176D+01  0.459921D+01
      2  -0.313548D+01  0.328917D+01 -0.891321D+01  0.340631D+01 -0.158251D+02
      3  -0.244298D+01  0.270434D+01 -0.350903D+01  0.253675D+01 -0.515915D+01
               181           182           183           184           185 
      1  -0.257815D+01 -0.319973D+01 -0.110403D+01 -0.439772D+01 -0.875001D+01
      2   0.271208D+01  0.274758D+01  0.113694D+01  0.347822D+01  0.460511D+01
      3  -0.147381D+01 -0.444284D+01 -0.696590D+00 -0.262322D+01 -0.132204D+02
               186           187           188           189           190 
      1  -0.444440D+01 -0.949078D+00 -0.213138D+01 -0.275255D+01  0.388173D+01
      2   0.446874D+01  0.145086D-01  0.272773D+01  0.218564D+01  0.250558D+01
      3  -0.571635D+00 -0.564324D+00 -0.342793D+01 -0.201630D+01  0.772954D+01
               191           192           193           194           195 
      1  -0.381102D+01 -0.158106D+01 -0.333278D+01  0.283271D+01  0.344333D+00
      2  -0.567489D+00  0.355888D+01 -0.495686D-01  0.693579D+00 -0.356326D+01
      3  -0.743591D+01 -0.316932D+01 -0.472411D+01  0.554884D+01  0.162020D+01
               196           197           198           199           200 
      1  -0.217242D+01  0.163318D+01  0.191944D+01 -0.238671D+01 -0.223844D+01
      2  -0.518321D+00 -0.166105D+00 -0.277665D+01  0.753247D+01  0.418933D+01
      3  -0.315752D+01  0.185247D+01  0.209999D+01  0.412797D+01  0.179131D+01
               201           202           203           204           205 
      1   0.563553D+00 -0.158893D+01 -0.273823D+01  0.684731D+00  0.130659D+01
      2  -0.596266D+01  0.479743D+01  0.470182D+01 -0.501172D+01 -0.711522D+01
      3  -0.225075D+01  0.328205D+01  0.397487D+01 -0.358910D+01 -0.289996D+01
               206           207           208           209           210 
      1   0.424767D+01 -0.613457D+00 -0.316386D+01  0.318957D+01  0.173431D+01
      2  -0.567634D+01  0.143777D+02 -0.521032D+01  0.330759D+01  0.405271D+01
      3  -0.385571D+01  0.444546D+01  0.430849D+01 -0.733605D+01 -0.430987D+00
               211           212           213           214           215 
      1   0.346949D+01 -0.327496D+01 -0.167745D+01  0.951937D+00  0.102540D+00
      2   0.367653D+01 -0.181072D+01 -0.415696D+01  0.675608D+00 -0.152464D+01
      3  -0.462869D+01  0.765663D+01 -0.799873D+00 -0.170160D+01  0.178859D+01
               216           217           218           219           220 
      1  -0.130406D+01  0.274607D+01  0.319266D+01  0.113829D+01  0.360034D+01
      2  -0.216607D+01 -0.527507D+00  0.609630D+00  0.178109D+01  0.199270D+00
      3   0.110945D+01 -0.426108D+01 -0.593605D+01 -0.300547D+01 -0.449545D+01
               221           222           223           224           225 
      1   0.724125D+01  0.509663D+00  0.209711D+01  0.312172D+01  0.147808D+01
      2   0.136854D+01  0.458432D+01 -0.294458D+00  0.123449D+01  0.356378D+01
      3  -0.117804D+02 -0.419084D+01 -0.299579D+01 -0.389410D+01 -0.318944D+01
               226           227           228           229           230 
      1  -0.378218D+01 -0.261848D+01  0.184040D+01 -0.117944D+01 -0.680173D+01
      2   0.994110D+01  0.414724D+01 -0.186208D+01  0.637454D+01  0.321475D+01
      3   0.191187D+01  0.377013D+00 -0.217340D+00  0.267802D+01  0.273391D+01
               231           232           233           234           235 
      1   0.455094D+01  0.122097D+01  0.703147D+01 -0.666246D+01  0.244528D+01
      2  -0.510858D+01 -0.502843D+01 -0.338347D+01  0.600953D+01 -0.485273D+01
      3  -0.207157D+01 -0.817448D+00 -0.101807D+01  0.237284D+01  0.191761D+01
               236           237           238           239           240 
      1   0.363130D+01  0.711362D+00  0.240142D+01  0.503884D+01  0.451768D+00
      2  -0.133435D+01  0.181443D+01 -0.375343D+01 -0.592748D+00 -0.630559D-01
      3  -0.224927D+01 -0.668717D-02  0.184622D+01 -0.256103D+01 -0.479550D+00
               241           242           243 
      1   0.107276D+01  0.247194D+01 -0.479579D+00
      2  -0.179331D+01 -0.978951D+00  0.514415D+00
      3   0.217893D+00 -0.104239D+01  0.395752D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.129763D+02  0.614456D+01 -0.158556D+01  0.126452D+02  0.104062D+00
      2  -0.842607D+01 -0.353606D+01 -0.236943D+01 -0.820123D+01  0.530246D+01
      3  -0.455021D+01 -0.260849D+01  0.395499D+01 -0.444394D+01 -0.540652D+01
      4   0.112503D+02  0.225990D+01  0.118123D+01  0.851188D+00 -0.525695D+01
      5  -0.176916D+01  0.361847D+01  0.887778D+01  0.659841D+01  0.820826D+01
      6  -0.108177D+01  0.137584D+01  0.559714D+01  0.384945D+01  0.701353D+01
                 6             7             8             9            10 
      1   0.346044D+01  0.318202D+01  0.587203D+01  0.726003D+01 -0.178401D+02
      2   0.297162D+00 -0.205149D+01  0.185676D+00 -0.177192D+01  0.148053D+01
      3  -0.375760D+01 -0.113054D+01 -0.605770D+01 -0.548811D+01  0.163596D+02
      4   0.462143D+01  0.429811D+01  0.689295D+01 -0.119729D+02 -0.235040D+02
      5  -0.606845D+01  0.588872D+01 -0.123156D+02 -0.143365D+01  0.752869D+01
      6  -0.187139D+01 -0.364498D+01 -0.344447D+01 -0.107495D+01  0.666835D+01
                11            12            13            14            15 
      1  -0.164147D+02  0.585709D+00 -0.175714D+02 -0.477787D+01  0.783326D+01
      2   0.126824D+02  0.288307D+01  0.112060D+02 -0.142105D+01  0.464892D+00
      3   0.373234D+01 -0.346878D+01  0.636549D+01  0.619892D+01 -0.829815D+01
      4  -0.120054D+02  0.264597D+01 -0.106565D+02  0.425945D+01 -0.449224D+01
      5   0.881853D+01  0.207428D+01  0.592731D+01 -0.691674D+01  0.742888D+01
      6   0.583417D+01 -0.123964D+01  0.495900D+00 -0.685923D+01  0.546917D+01
                16            17            18            19            20 
      1  -0.568880D+01  0.405022D+01  0.566990D+01 -0.175456D+02 -0.224740D+00
      2   0.326588D+01  0.101608D+00  0.132950D+02  0.109775D+02 -0.257092D+01
      3   0.242292D+01 -0.415183D+01 -0.189649D+02  0.656812D+01  0.279566D+01
      4  -0.266267D+01 -0.588882D+01  0.808097D+01 -0.157572D+01 -0.268135D+01
      5   0.188251D+01  0.989611D+01  0.811368D+01  0.888588D+00 -0.104659D+01
      6   0.278997D+01  0.834053D+01 -0.102111D+01  0.102652D+01 -0.223418D+01
                21            22            23            24            25 
      1  -0.797702D+00 -0.274770D+01  0.188000D+02  0.716759D+01 -0.311308D+01
      2   0.786813D+00  0.659146D+00 -0.267020D+02 -0.195008D+01  0.342101D+01
      3   0.108889D-01  0.208855D+01  0.790198D+01 -0.521752D+01 -0.307935D+00
      4   0.461345D+00 -0.662139D+01  0.296837D+01 -0.120225D+00 -0.566282D+01
      5  -0.609322D+01 -0.797352D+01 -0.384635D+01  0.233344D+01 -0.958896D+00
      6  -0.817727D+00 -0.322726D+00 -0.184054D+02 -0.113539D+02 -0.290426D+00
                26            27            28            29            30 
      1   0.869249D+01  0.310728D+01  0.188886D+01 -0.126882D+01 -0.104180D+01
      2  -0.144474D+02 -0.621645D+01  0.265277D+01  0.191991D+01  0.204513D+00
      3   0.575492D+01  0.310917D+01 -0.454163D+01 -0.651092D+00  0.837290D+00
      4  -0.705240D+00  0.238151D+01  0.126020D+01  0.128917D+02  0.352072D+01
      5   0.145504D+01 -0.425889D+00  0.798786D-01  0.311816D+01  0.727493D+01
      6  -0.355369D+01 -0.112547D+02  0.453254D+01  0.753363D+00  0.146061D+01
                31            32            33            34            35 
      1   0.126193D+01 -0.423963D+02 -0.150346D+02  0.390279D+00 -0.171160D+02
      2  -0.279695D+00  0.628481D+02  0.118297D+02 -0.906298D+00  0.132984D+02
      3  -0.982236D+00 -0.204518D+02  0.320494D+01  0.516019D+00  0.381760D+01
      4   0.145019D+02  0.183974D+00 -0.594953D+00  0.486555D+01 -0.776779D+00
      5   0.437152D+01  0.181330D+01  0.126105D+01  0.795348D+01  0.214890D+01
      6  -0.103291D+00  0.291353D+02  0.233991D+02  0.102315D+01  0.251684D+02
                36            37            38            39            40 
      1  -0.181146D+02  0.111174D+02  0.282636D+01  0.105806D+01 -0.421274D+01
      2   0.769073D+01 -0.339493D+01 -0.215633D+01  0.934974D+00  0.510377D+01
      3   0.104239D+02 -0.772247D+01 -0.670031D+00 -0.199303D+01 -0.891027D+00
      4  -0.243595D+00 -0.302676D+01  0.740074D+01  0.102637D+02  0.486769D+01
      5   0.249017D+01 -0.417931D+01  0.877920D+01 -0.817541D+01  0.141184D+02
      6   0.230440D+02  0.459475D+01 -0.912135D+00 -0.708066D+01  0.133229D+01
                41            42            43            44            45 
      1   0.784005D+01  0.106467D+02 -0.102989D+01  0.115261D+02 -0.132217D+02
      2  -0.409551D+01 -0.102251D+02 -0.200808D+00 -0.873351D+01  0.894147D+01
      3  -0.374454D+01 -0.421550D+00  0.123070D+01 -0.279255D+01  0.428020D+01
      4  -0.129257D+01  0.433221D+01  0.140686D+02  0.946067D+00 -0.394061D+01
      5   0.416496D+01 -0.835799D+01 -0.158436D+02 -0.169141D+01 -0.113511D+01
      6   0.292410D+00 -0.178047D+01 -0.419313D+01 -0.170071D+01  0.601580D+01
                46            47            48            49            50 
      1  -0.899025D+00 -0.605503D+01 -0.864097D+01 -0.788703D+01 -0.479554D+01
      2   0.463910D+01  0.243250D+01  0.119579D+02  0.285307D+01  0.456643D+01
      3  -0.374007D+01  0.362253D+01 -0.331690D+01  0.503396D+01  0.229114D+00
      4   0.509668D+01 -0.515428D+01 -0.670085D+01 -0.593727D+01  0.501323D+01
      5   0.211800D+01 -0.197295D+01 -0.705701D+01 -0.298684D+01  0.405290D+01
      6  -0.382450D+01  0.151578D+02  0.582073D+01  0.119188D+02 -0.224599D+01
                51            52            53            54            55 
      1  -0.194554D+01 -0.799026D+01 -0.390542D+01  0.434308D+01 -0.118054D+01
      2   0.428124D+01  0.108922D+02  0.639854D+01 -0.524821D+01  0.242990D+01
      3  -0.233570D+01 -0.290193D+01 -0.249312D+01  0.905128D+00 -0.124936D+01
      4   0.812660D+01 -0.107471D+02  0.998416D+01  0.401446D+01  0.233071D-01
      5   0.498532D+01 -0.384794D+01  0.522673D+01  0.179813D+01 -0.168915D+01
      6  -0.601342D+01  0.646065D+01 -0.743353D+01 -0.412430D+01  0.338688D+01
                56            57            58            59            60 
      1   0.793628D+01  0.102024D+02  0.101307D+02  0.103102D+02  0.257206D+01
      2  -0.168586D+02 -0.147319D+02 -0.150368D+02 -0.217320D+02 -0.857018D+01
      3   0.892231D+01  0.452949D+01  0.490604D+01  0.114218D+02  0.599812D+01
      4  -0.473195D+01  0.318314D+01 -0.216888D+01 -0.111709D+02 -0.919090D+01
      5  -0.153828D+01 -0.313701D+01 -0.255528D+01 -0.347485D+01  0.199663D+01
      6  -0.155751D+02  0.956856D+01 -0.108672D+02 -0.785084D+01 -0.784887D+00
                61            62            63            64            65 
      1   0.104354D+02  0.497201D+01  0.174328D+01 -0.212998D+02 -0.218378D+02
      2  -0.145916D+02 -0.128803D+02 -0.197022D+01  0.181763D+02  0.118100D+02
      3   0.415622D+01  0.790825D+01  0.226933D+00  0.312350D+01  0.100278D+02
      4   0.500622D+01 -0.130418D+02  0.574668D+01 -0.220358D+02  0.402572D+01
      5  -0.361801D+01  0.182006D+01 -0.383502D+01 -0.673018D+01 -0.104446D+02
      6   0.960616D+01 -0.503328D+01  0.436032D+01 -0.300144D+01  0.380391D+01
                66            67            68            69            70 
      1  -0.857794D+01 -0.298862D+02  0.484937D+01 -0.152200D+02 -0.844621D+01
      2   0.710226D+01  0.166803D+02 -0.504539D+01  0.113204D+02  0.601828D+01
      3   0.147569D+01  0.132059D+02  0.196019D+00  0.389961D+01  0.242793D+01
      4  -0.786706D+01 -0.451027D+00  0.910085D+01 -0.498092D+01 -0.963278D+01
      5  -0.712944D+01 -0.133275D+02 -0.778882D+01  0.203524D+02 -0.122618D+02
      6   0.145858D+01  0.193888D+01  0.706822D+01 -0.142282D+02  0.764828D+01
                71            72            73            74            75 
      1  -0.148065D+02  0.366663D+00  0.154770D+01  0.201396D+01 -0.342962D+01
      2   0.113527D+02 -0.667762D+01 -0.340729D+01 -0.190555D+01  0.682902D+00
      3   0.345383D+01  0.631096D+01  0.185959D+01 -0.108414D+00  0.274672D+01
      4  -0.411853D+01  0.213372D+02  0.223654D+01  0.142090D+01 -0.941332D+00
      5   0.214505D+02  0.111021D+02 -0.298173D+01 -0.334381D+00  0.438500D+01
      6  -0.155998D+02 -0.311267D+01 -0.115570D+01  0.312326D+00 -0.857671D+00
                76            77            78            79            80 
      1   0.683302D+00 -0.170264D+01 -0.181146D+01 -0.199928D+01  0.393309D+00
      2   0.582650D+00 -0.150163D+01 -0.589036D+01  0.521381D+01 -0.401555D+01
      3  -0.126595D+01  0.320427D+01  0.770182D+01 -0.321453D+01  0.362224D+01
      4   0.227489D+01 -0.220248D+01 -0.186620D+01 -0.190144D+01 -0.263426D+01
      5   0.174607D+01 -0.179115D+01 -0.563918D+01  0.888211D+01 -0.139461D+01
      6  -0.651283D+00  0.178077D+01  0.351893D+01  0.121724D+01  0.493256D+01
                81            82            83            84            85 
      1  -0.157458D+02  0.402614D+02  0.108097D+02 -0.321644D+01  0.929999D+01
      2  -0.223106D+02 -0.162660D+02 -0.117240D+01  0.300049D+01 -0.202271D+00
      3   0.380565D+02 -0.239953D+02 -0.963729D+01  0.215957D+00 -0.909772D+01
      4   0.213883D+00  0.327973D+02  0.199593D+02 -0.543492D+01  0.177248D+02
      5  -0.211649D+02 -0.160633D+02 -0.761269D+01  0.900700D+01 -0.529157D+01
      6  -0.891923D+01 -0.780886D+01 -0.599043D+01  0.469700D+01 -0.399641D+01
                86            87            88            89            90 
      1   0.452437D+01 -0.138004D+01  0.388430D+01  0.228417D-01  0.232803D+01
      2   0.383624D+01  0.335446D+00 -0.741652D-01  0.864911D+00 -0.372010D+01
      3  -0.836060D+01  0.104459D+01 -0.381014D+01 -0.887752D+00  0.139207D+01
      4   0.137877D+02 -0.224400D+01  0.148681D+01  0.243305D+01  0.319015D+01
      5  -0.274956D+01  0.248364D+01  0.592755D+01  0.153183D+01 -0.278635D+01
      6  -0.366509D+01  0.276985D+01  0.282568D+01  0.139300D+01 -0.862921D+00
                91            92            93            94            95 
      1  -0.160676D+02  0.812453D+01  0.163091D+02  0.148515D+02 -0.113283D+02
      2   0.108492D+02 -0.146814D+02 -0.524250D+01 -0.232051D+02 -0.431957D+01
      3   0.521842D+01  0.655687D+01 -0.110666D+02  0.835367D+01  0.156479D+02
      4   0.892997D+01 -0.886810D+01 -0.117662D+02 -0.118469D+02 -0.160958D+02
      5   0.130556D+02 -0.169863D+02  0.508328D+01 -0.243602D+02 -0.200857D+01
      6  -0.705898D+01  0.109814D-01  0.127108D+02 -0.983556D+00  0.312032D+00
                96            97            98            99           100 
      1  -0.168742D+02  0.134739D+02 -0.138919D+02  0.185175D+02 -0.131861D+02
      2   0.780389D+01 -0.439072D+01  0.284450D+01 -0.480348D+01  0.106778D+00
      3   0.907032D+01 -0.908313D+01  0.110474D+02 -0.137141D+02  0.130793D+02
      4  -0.878059D+01 -0.161248D+02 -0.105465D+02  0.692892D+01  0.111163D+02
      5   0.118037D+02  0.954212D+01  0.606560D+01 -0.170790D+01  0.550502D+00
      6   0.365308D+01  0.125462D+02  0.213820D+01  0.169145D+01 -0.545408D+00
               101           102           103           104           105 
      1   0.122744D+02 -0.367388D+01  0.143399D+02 -0.174205D+02 -0.153973D+02
      2   0.211742D+01 -0.516930D+01  0.373345D+00  0.108451D+02  0.575713D+01
      3  -0.143918D+02  0.884318D+01 -0.147132D+02  0.657543D+01  0.964019D+01
      4  -0.191929D+02 -0.114156D+02 -0.248489D+02 -0.349704D+01 -0.800646D+01
      5  -0.916406D+01  0.124144D+02 -0.121043D+02 -0.128775D+02 -0.456438D+01
      6  -0.602082D+01 -0.646101D+01 -0.981815D+01 -0.447139D+01 -0.565959D+01
               106           107           108           109           110 
      1   0.148573D+01 -0.180420D+02  0.185175D+02 -0.241158D+00  0.329398D+01
      2  -0.676934D+01  0.767761D+01 -0.728080D+01 -0.439471D+01  0.483685D+01
      3   0.528361D+01  0.103644D+02 -0.112367D+02  0.463586D+01 -0.813083D+01
      4  -0.165695D+02 -0.343334D+01 -0.253239D+01 -0.672385D+01 -0.535890D+01
      5   0.160824D+02 -0.571306D+01  0.421630D+01 -0.284489D+01 -0.130870D+02
      6  -0.909874D+01 -0.311238D+01  0.843826D+00 -0.751501D+01 -0.104174D+02
               111           112           113           114           115 
      1   0.471895D+01  0.555592D+00  0.199108D+00 -0.992315D+01  0.507798D+01
      2  -0.539279D+01  0.593903D+01  0.224824D+01 -0.551813D+01 -0.601777D+01
      3   0.673834D+00 -0.649462D+01 -0.244735D+01  0.154413D+02  0.939786D+00
      4  -0.805288D+01 -0.785286D+01 -0.259911D+01 -0.642917D+01 -0.699412D+01
      5  -0.199903D+01 -0.131012D+02 -0.785713D+01 -0.531724D+01 -0.426906D+01
      6  -0.114179D+02 -0.922304D+01 -0.433397D+01 -0.508235D+01 -0.776406D+01
               116           117           118           119           120 
      1  -0.978593D+01 -0.349614D+01  0.357593D+01  0.278024D+01  0.185684D+01
      2  -0.510133D+01  0.467761D+01 -0.152758D+01 -0.503014D+01 -0.159261D+00
      3   0.148873D+02 -0.118147D+01 -0.204835D+01  0.224990D+01 -0.169758D+01
      4  -0.523351D+01  0.322597D+01 -0.145373D+02  0.126099D+02  0.915511D+01
      5  -0.181615D+01 -0.155475D+01 -0.113311D+02  0.724343D+01  0.105527D+02
      6  -0.304276D+01  0.670265D+01  0.999902D+01 -0.963195D+01 -0.934794D+01
               121           122           123           124           125 
      1   0.369049D+01 -0.938569D+01 -0.564754D+01  0.231865D+01 -0.601498D+01
      2  -0.560912D+01  0.133353D+02  0.420049D+01 -0.558670D+00  0.329525D+01
      3   0.191863D+01 -0.394963D+01  0.144705D+01 -0.175998D+01  0.271974D+01
      4   0.108277D+02 -0.130640D+02 -0.776333D+01  0.838669D+01 -0.825854D+01
      5   0.601090D+01 -0.703584D+01 -0.585851D+01  0.950820D+01 -0.686176D+01
      6  -0.902953D+01  0.142900D+02  0.125091D+02 -0.934898D+01  0.135577D+02
               126           127           128           129           130 
      1  -0.820052D+01 -0.197323D+01 -0.749818D+01 -0.128734D+01 -0.508660D+01
      2  -0.848424D-01  0.829739D+01  0.181420D+02  0.311753D+01  0.123475D+02
      3   0.828536D+01 -0.632416D+01 -0.106438D+02 -0.183019D+01 -0.726086D+01
      4  -0.899333D+01  0.913662D+01  0.147893D+02  0.153310D+01  0.111836D+02
      5  -0.985349D+01  0.540944D+00  0.767166D+00  0.279708D+01  0.126443D+00
      6   0.155735D+02  0.105390D+01  0.278780D+01  0.191687D+01  0.228302D+01
               131           132           133           134           135 
      1  -0.318334D+02 -0.406833D+01 -0.229967D+01 -0.992383D+01 -0.542851D+01
      2   0.615770D+02  0.805254D+01  0.463923D+01  0.186066D+02  0.776439D+01
      3  -0.297436D+02 -0.398421D+01 -0.233956D+01 -0.868282D+01 -0.233588D+01
      4   0.182643D+02  0.319697D+01  0.341426D+01  0.626063D+01  0.268465D+01
      5   0.245732D+01  0.132076D+01  0.242603D+01  0.215812D+01  0.161912D+01
      6   0.721711D+01  0.851951D+01  0.160817D+01  0.109836D+02  0.617452D+01
               136           137           138           139           140 
      1   0.102892D+01  0.710741D+01 -0.470806D+01  0.382030D+01 -0.819407D+01
      2  -0.216434D+00 -0.942094D+01  0.452663D+01 -0.514032D+01  0.125432D+02
      3  -0.812491D+00  0.231353D+01  0.181438D+00  0.132002D+01 -0.434910D+01
      4  -0.111084D+02  0.790177D+01 -0.697278D+01  0.569474D+01 -0.495199D+01
      5   0.771213D+01 -0.261752D+01  0.574685D+01 -0.118275D+01  0.413856D+01
      6  -0.815465D+01  0.990223D+01 -0.104854D+02  0.682867D+01 -0.912585D+01
               141           142           143           144           145 
      1   0.554311D+01 -0.409629D+01  0.989830D+01 -0.103188D+02  0.120936D+01
      2  -0.543233D+01  0.262319D+01 -0.934902D+01  0.329159D+01 -0.209587D+00
      3  -0.110781D+00  0.147310D+01 -0.549288D+00  0.702717D+01 -0.999771D+00
      4   0.487581D+01 -0.783510D+01  0.615969D+01 -0.700267D+01 -0.442721D+00
      5  -0.236411D+01  0.731834D+01 -0.300833D+01  0.554997D+01  0.277271D+01
      6   0.964140D+01 -0.943109D+01  0.151032D+02 -0.198973D+02 -0.221904D+01
               146           147           148           149           150 
      1  -0.265765D+01  0.474372D+01 -0.302251D+01 -0.106561D+02  0.775860D+01
      2   0.183113D+01 -0.227396D+01 -0.128049D+01  0.196481D+02 -0.836062D+01
      3   0.826518D+00 -0.246975D+01  0.430300D+01 -0.899206D+01  0.602019D+00
      4   0.284986D+01 -0.166487D+01  0.114873D+02 -0.255088D+02  0.120138D+02
      5  -0.642991D+00  0.183156D+01 -0.373752D+01  0.131511D+02 -0.139741D+02
      6  -0.115396D+01  0.870592D+00  0.280415D+01 -0.157417D+02  0.139062D+02
               151           152           153           154           155 
      1   0.689938D+01  0.792820D+01 -0.706241D+01  0.621171D+02  0.118590D+02
      2  -0.288845D+01 -0.922197D+01  0.351832D+01 -0.362910D+02 -0.805778D+01
      3  -0.401093D+01  0.129377D+01  0.354410D+01 -0.258261D+02 -0.380124D+01
      4  -0.704913D+01  0.153330D+02 -0.128627D+02  0.366032D+01  0.918729D+01
      5   0.806338D+01 -0.144422D+02  0.141798D+02  0.144587D+02  0.320131D+01
      6  -0.383662D+01  0.150003D+02 -0.137346D+02 -0.832047D+00  0.488657D+00
               156           157           158           159           160 
      1   0.997971D+01  0.296180D+02  0.890652D+01  0.518995D+01  0.134207D+02
      2  -0.724724D+01 -0.175991D+02 -0.524794D+01 -0.451450D+01 -0.946525D+01
      3  -0.273247D+01 -0.120189D+02 -0.365858D+01 -0.675454D+00 -0.395549D+01
      4   0.126297D+01  0.859237D+01  0.100123D+02  0.272432D+01  0.134441D+01
      5   0.116160D+02  0.748398D+01  0.392390D+01  0.501808D+01  0.135319D+02
      6  -0.139592D+01  0.374490D+00  0.486874D+00  0.186078D+01 -0.140666D+01
               161           162           163           164           165 
      1   0.353168D+01  0.749160D+01  0.100020D+02 -0.202187D+01 -0.500483D+01
      2  -0.332061D+01 -0.557850D+01 -0.502514D+01 -0.540286D+00  0.173700D+01
      3  -0.211069D+00 -0.191310D+01 -0.497686D+01  0.256216D+01  0.326783D+01
      4   0.355257D+01 -0.781139D+00 -0.565044D+01  0.624766D+01  0.681551D+01
      5   0.527482D+00  0.615114D+01 -0.703437D+01  0.575587D+01  0.891696D+01
      6   0.307684D+01  0.814306D-03  0.412902D+01 -0.264776D+01 -0.326043D+01
               166           167           168           169           170 
      1  -0.267051D+01 -0.234819D+00  0.188022D+01 -0.128453D+02  0.334505D+01
      2  -0.169744D+01  0.608602D+01  0.146415D+01  0.577786D+01  0.181167D+01
      3   0.436796D+01 -0.585120D+01 -0.334437D+01  0.706744D+01 -0.515673D+01
      4   0.112791D+02 -0.150607D+02 -0.866265D+01  0.145078D+02 -0.146301D+02
      5   0.703625D+01 -0.769559D+01 -0.122105D+02  0.158513D+02 -0.142103D+02
      6  -0.398422D+01  0.617480D+01  0.998522D+01 -0.725092D+01  0.110132D+02
               171           172           173           174           175 
      1   0.157216D+01 -0.796831D+01  0.124788D+01 -0.109332D+02 -0.372592D+00
      2  -0.324485D+01  0.128690D+01  0.134563D+00 -0.426104D+00  0.173612D+01
      3   0.167269D+01  0.668140D+01 -0.138244D+01  0.113593D+02 -0.136353D+01
      4  -0.145716D+02 -0.476406D+01 -0.122013D+01  0.920566D+00  0.195025D+01
      5  -0.280284D+02  0.618028D+01  0.444952D+01 -0.305103D+01  0.291784D+01
      6   0.152820D+02  0.468926D+00  0.488242D+01 -0.661582D+01  0.220692D+01
               176           177           178           179           180 
      1  -0.464761D+01  0.760311D+01 -0.992890D+01  0.751927D+01 -0.235199D+02
      2   0.237321D+01 -0.189746D+01  0.211703D+01 -0.126661D+01 -0.815739D+01
      3   0.227440D+01 -0.570565D+01  0.781187D+01 -0.625266D+01  0.316773D+02
      4   0.309678D+01 -0.187580D+01 -0.150776D+01 -0.282710D+01  0.229183D+01
      5  -0.167907D+01  0.171160D+01  0.403428D+01  0.388849D+01 -0.160843D+02
      6  -0.513902D+01  0.795540D+01 -0.270889D+01  0.893433D+01 -0.150142D+02
               181           182           183           184           185 
      1   0.111659D+02  0.584781D+01 -0.359575D+00  0.881150D+01  0.192845D+01
      2  -0.138295D+01  0.363371D+01  0.819463D+00  0.504819D+01  0.193745D+02
      3  -0.978291D+01 -0.948152D+01 -0.459888D+00 -0.138597D+02 -0.213030D+02
      4   0.120590D+02  0.152676D+02  0.215770D+01  0.218944D+02  0.336591D+02
      5  -0.275782D+01  0.847897D-01  0.273003D+01 -0.164983D+01 -0.169324D+01
      6  -0.110289D+01 -0.286016D+01  0.610316D-01 -0.435919D+01 -0.874365D+01
               186           187           188           189           190 
      1   0.270083D+01  0.459335D+01  0.328368D+01 -0.104192D+01  0.451831D+02
      2   0.187769D+01 -0.225637D-01  0.375437D+01  0.204920D+01 -0.302983D+02
      3  -0.457852D+01 -0.457079D+01 -0.703805D+01 -0.100728D+01 -0.148848D+02
      4   0.127103D+01  0.798056D+01  0.881184D+01  0.323826D+01 -0.553996D+01
      5   0.581749D+01  0.138146D+01  0.283531D+01  0.391279D+01 -0.286033D+02
      6   0.478693D+01 -0.727040D-01  0.210318D+01  0.158647D+01  0.314519D+01
               191           192           193           194           195 
      1  -0.101093D+02 -0.126300D+02 -0.213453D+02  0.870002D+01  0.625551D+01
      2   0.844542D+01  0.121011D+02  0.160837D+02 -0.449492D+01 -0.738945D+01
      3   0.166387D+01  0.528883D+00  0.526157D+01 -0.420510D+01  0.113395D+01
      4   0.987289D+01  0.223479D+01  0.101588D+02 -0.814296D+01 -0.258325D+01
      5   0.679843D+01  0.170329D+02  0.163494D+02 -0.639802D+01 -0.120257D+02
      6  -0.444378D+01 -0.140647D+01 -0.420890D+01  0.499700D+01  0.226008D+01
               196           197           198           199           200 
      1  -0.859726D+01  0.278269D+01  0.422344D+01 -0.664800D+01 -0.551594D+01
      2   0.945719D+01 -0.276863D+01 -0.798159D+01  0.309115D+01  0.179566D+01
      3  -0.859922D+00 -0.140564D-01  0.375815D+01  0.355685D+01  0.372028D+01
      4   0.286457D+01 -0.127067D+01 -0.270305D+01  0.253229D-01  0.137269D+01
      5   0.139745D+02 -0.472246D+01 -0.115571D+02 -0.330203D+01  0.528364D+00
      6  -0.223513D+01  0.226585D+01  0.593470D+00 -0.190703D+01 -0.230725D+01
               201           202           203           204           205 
      1   0.844648D+01 -0.689741D+01 -0.472082D+01  0.761335D+01  0.765829D+01
      2   0.220865D+01  0.373972D+01  0.158229D+01  0.359660D+00 -0.172755D+01
      3  -0.106551D+02  0.315769D+01  0.313853D+01 -0.797301D+01 -0.593073D+01
      4   0.191746D+01  0.428575D+01 -0.292571D+01  0.449117D+01  0.683484D+00
      5  -0.346576D+01 -0.170931D+01  0.380336D+01 -0.490393D+01  0.340922D+01
      6   0.290277D+01 -0.660253D+00 -0.509656D+01  0.749498D+01  0.246087D+01
               206           207           208           209           210 
      1   0.860539D+01 -0.201498D+02  0.407801D+02 -0.156549D+02  0.180879D+00
      2  -0.933433D+00 -0.863503D+01 -0.168004D+02  0.336843D+01 -0.147508D+01
      3  -0.767196D+01  0.287849D+02 -0.239797D+02  0.122865D+02  0.129420D+01
      4   0.452313D+01 -0.475290D+01 -0.235234D+02  0.186895D+02  0.184711D+00
      5  -0.394175D+01  0.151933D+02  0.934662D+01 -0.299419D+01  0.701923D+01
      6   0.775335D+01 -0.956456D+01 -0.499232D+01  0.495479D+01 -0.131604D+01
               211           212           213           214           215 
      1  -0.219363D+02  0.121076D+02  0.138832D+01 -0.100262D+02  0.468382D+01
      2   0.592201D+01  0.376692D+00  0.142303D+01  0.371453D+01 -0.135347D+00
      3   0.160142D+02 -0.124843D+02 -0.281135D+01  0.631170D+01 -0.454848D+01
      4   0.233691D+02 -0.202397D+02  0.148524D+01  0.603737D+01 -0.415982D+01
      5  -0.520205D+01  0.462544D+01 -0.579905D+01  0.349907D+01 -0.248539D+01
      6   0.578232D+01 -0.456314D+01  0.361213D+01 -0.427398D+00  0.172813D+01
               216           217           218           219           220 
      1   0.184103D+01  0.164520D+02  0.630719D+01  0.552442D+01  0.135580D+02
      2  -0.624743D+00 -0.932295D+01 -0.467605D+01 -0.473121D+01 -0.895388D+01
      3  -0.121628D+01 -0.712901D+01 -0.163115D+01 -0.793206D+00 -0.460410D+01
      4  -0.361876D+01  0.940508D+01  0.123262D+02  0.567075D+01  0.173200D+02
      5  -0.291358D+01  0.118954D+02  0.786731D+01  0.832956D+01  0.150593D+02
      6   0.143087D+00  0.471854D+01  0.526697D+01  0.397568D+01  0.820114D+01
               221           222           223           224           225 
      1   0.707902D+01  0.418115D+01  0.405650D+01  0.259679D+01 -0.177405D+00
      2  -0.227574D+01 -0.636650D+01 -0.489913D+01 -0.375755D+01 -0.496011D+01
      3  -0.480328D+01  0.218535D+01  0.842633D+00  0.116076D+01  0.513752D+01
      4   0.209258D+02  0.895593D+01  0.608645D+01  0.592175D+01  0.657619D+01
      5   0.114418D+02  0.143705D+02  0.888214D+01  0.803881D+01  0.104992D+02
      6   0.123147D+02  0.820798D+01  0.475537D+01  0.632631D+01  0.502000D+01
               226           227           228           229           230 
      1   0.187446D+01  0.398519D+00  0.201837D+01 -0.138398D+00 -0.420959D+01
      2  -0.345448D+01 -0.186984D+01  0.226924D+01 -0.572794D+00 -0.332081D+01
      3   0.158001D+01  0.147132D+01 -0.428762D+01  0.711193D+00  0.753041D+01
      4   0.215642D+01  0.253012D+01  0.233851D+00  0.330145D+01 -0.213854D+01
      5  -0.560068D+01 -0.253555D+01  0.485671D+01 -0.407253D+01  0.199855D+01
      6  -0.279878D+01 -0.707654D+00  0.101461D+01 -0.353269D+00 -0.844438D+01
               231           232           233           234           235 
      1   0.839717D+01  0.100130D+01  0.574111D+01 -0.160768D+02  0.793242D+01
      2   0.777018D+01  0.681863D+00  0.538067D+01 -0.170767D+02 -0.570123D+01
      3  -0.161674D+02 -0.168316D+01 -0.111218D+02  0.331535D+02 -0.223119D+01
      4   0.284401D+01 -0.110791D-01  0.169539D+01 -0.195028D+01  0.135197D+02
      5  -0.366215D+01  0.590228D+01 -0.103298D+01  0.595517D+01  0.173251D+02
      6   0.978834D+01  0.164575D+01  0.821632D+01 -0.710045D+01  0.102748D+02
               236           237           238           239           240 
      1   0.608028D+00 -0.316123D+00  0.347900D+00 -0.501619D+01 -0.339714D+01
      2  -0.834189D+00 -0.482456D+01 -0.175363D+00  0.555502D+01 -0.106852D+00
      3   0.226161D+00  0.514068D+01 -0.172537D+00 -0.538831D+00  0.350399D+01
      4   0.115660D+02  0.823582D+01  0.120163D+02  0.131160D+02  0.821829D+01
      5   0.107085D+02  0.145650D+02  0.115087D+02  0.100329D+02  0.986177D+01
      6   0.937131D+01  0.964764D+01  0.101111D+02  0.143655D+02  0.124394D+02
               241           242           243 
      1  -0.152736D+01 -0.246629D+01 -0.442935D+01
      2  -0.296897D+01 -0.149339D+00 -0.488745D+01
      3   0.449633D+01  0.261562D+01  0.931680D+01
      4   0.566740D+01  0.501078D+01  0.601531D+01
      5   0.100558D+02  0.683367D+01  0.112656D+02
      6   0.736291D+01  0.884183D+01  0.941114D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.116025D+01      0.294906D+01      0.983702D+01
   x          0.482446D-01      0.122626D+00      0.409035D+00
   y          0.104100D+01      0.264595D+01      0.882594D+01
   z          0.510078D+00      0.129649D+01      0.432462D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.111759D+03      0.165610D+02      0.184266D+02
   aniso      0.162347D+02      0.240573D+01      0.267674D+01
   xx         0.121387D+03      0.179878D+02      0.200141D+02
   yx         0.337563D+00      0.500217D-01      0.556567D-01
   yy         0.111185D+03      0.164759D+02      0.183319D+02
   zx        -0.360708D+00     -0.534514D-01     -0.594727D-01
   zy         0.324921D+00      0.481483D-01      0.535723D-01
   zz         0.102705D+03      0.152193D+02      0.169338D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.114052D+03      0.169008D+02      0.188047D+02
   aniso      0.158357D+02      0.234661D+01      0.261096D+01
   xx         0.123197D+03      0.182560D+02      0.203125D+02
   yx         0.240678D+00      0.356649D-01      0.396825D-01
   yy         0.113956D+03      0.168865D+02      0.187888D+02
   zx        -0.433876D+00     -0.642937D-01     -0.715364D-01
   zy         0.761970D+00      0.112912D+00      0.125632D+00
   zz         0.105003D+03      0.155599D+02      0.173127D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.37273059         -0.39284393         -0.14543919
     6          2.56748015          2.28375909          1.08094472
     6          0.04482988         -0.21999586         -1.83706040
     8          0.01351305         -0.13754316         -4.11284856
     6         -2.29178732         -0.13756716         -0.09791152
     6         -0.99941665         -0.17083076          2.54017956
     6          0.37571512          2.34619555          3.03171297
     6          4.73674481         -1.31377568         -1.45017344
     1          2.43759292          3.77861554         -0.33179074
     1          4.40761427          2.46296671          1.99351322
     6         -3.89509641         -2.52047651         -0.52525484
     6         -3.91720947          2.17972346         -0.68424940
     6          1.28076777         -1.92528972          2.08316302
     1         -2.28234483         -0.73311803          4.04964969
     1          1.11140923          2.37128634          4.95683675
     1         -0.83808699          3.99259598          2.82964710
     1          4.47330694         -3.21319829         -2.20875511
     1          6.32952772         -1.35221876         -0.13896163
     1          5.22174688         -0.08076998         -3.02958415
     1         -2.87559879         -4.25264349         -0.07910120
     1         -4.48924920         -2.62448519         -2.49517623
     1         -5.58118633         -2.44807464          0.66265947
     1         -2.84398557          3.93492834         -0.62574479
     1         -5.47351840          2.32845412          0.66386739
     1         -4.71206762          2.00619565         -2.57664805
     1          0.78429932         -3.85578962          1.56845689
     1          2.57389865         -1.98777706          3.68845341

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.116025D+01      0.294906D+01      0.983702D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.116025D+01      0.294906D+01      0.983702D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.111759D+03      0.165610D+02      0.184266D+02
   aniso      0.162347D+02      0.240573D+01      0.267674D+01
   xx         0.121362D+03      0.179839D+02      0.200098D+02
   yx        -0.107125D+00     -0.158742D-01     -0.176625D-01
   yy         0.104084D+03      0.154237D+02      0.171611D+02
   zx         0.707298D+00      0.104811D+00      0.116618D+00
   zy         0.315101D+01      0.466931D+00      0.519531D+00
   zz         0.109832D+03      0.162754D+02      0.181088D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.114052D+03      0.169008D+02      0.188047D+02
   aniso      0.158357D+02      0.234661D+01      0.261096D+01
   xx         0.123185D+03      0.182541D+02      0.203105D+02
   yx        -0.749735D-01     -0.111099D-01     -0.123615D-01
   yy         0.106127D+03      0.157264D+02      0.174980D+02
   zx         0.536014D+00      0.794290D-01      0.883767D-01
   zy         0.307558D+01      0.455754D+00      0.507095D+00
   zz         0.112845D+03      0.167219D+02      0.186056D+02

 ----------------------------------------------------------------------
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 294,0.01555096,0.01561160,0.00881309,0.06354202,0.06239809,0.08415399\
 \-0.00003760,-0.00001917,0.00000510,0.00000211,-0.00000880,0.00000238,
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 051,0.00000063,-0.00000091,0.00000733,-0.00000384,-0.00000168,0.000003
 48,0.00000181,0.00000052,0.00001237,0.00000112,-0.00000440,-0.00000547
 ,-0.00000295,-0.00000210,0.00000153,0.00000101,-0.00000109,0.00000128,
 0.00000058,-0.00000217,-0.00000747,-0.00000111,-0.00000112,0.00000282,
 0.00000129,-0.00000166,-0.00001015,-0.00000106,-0.00001038,0.00000022,
 -0.00000385,0.00000431\\\@


 THE PROMISED LAND ALWAYS LIES ON THE OTHER SIDE OF A WILDERNESS.

                         -- HAVELOCK ELLIS
 Job cpu time:       0 days  4 hours 55 minutes 33.8 seconds.
 Elapsed time:       0 days  0 hours 24 minutes 42.4 seconds.
 File lengths (MBytes):  RWF=    392 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul 22 20:25:54 2021.
